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Whelan, Mark Clifford. "Spectroscopic studies of interstellar molecules." Thesis, University of Sussex, 2017. http://sro.sussex.ac.uk/id/eprint/68548/.
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Couch, Philip Anthony. "Molecules in circumstellar and interstellar environments : TiO." Thesis, University of Nottingham, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.247564.
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Holland, Simon Michael. "Highly excited molecules and the interstellar maser." Thesis, University of Bristol, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.265469.
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Harada, Nanase. "Interstellar Molecules in Galactic and Extragalactic Sources." The Ohio State University, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=osu1312559226.
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Cernicharo, José. "Matiere diffuse et molecules interstellaires." Paris 7, 1988. http://www.theses.fr/1988PA077028.
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La structure des nuages sombres de la region taurus-auriga-perseus et les causes des differences chimiques observees sont etudiees a l'aide de donnees radio, ir et optique. Des observations millimetriques ont permis de realiser des cartes detaillees en co de ce complexe moleculaire interstellaire. De nouvelles molecules metalliques ont ete detectees (clna, clk, clal et fal) ainsi que des isotopes de sicc et hccch. Des travaux instrumentaux pour differents radiotelescopes sont aussi decrits
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Quan, Donghui. "Chemical Modeling of Interstellar Molecules in Dense Cores." The Ohio State University, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=osu1259614944.
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Vichetti, Rafael Mário [UNESP]. "Síntese dos isótopos do monóxido de carbono no meio interestelar." Universidade Estadual Paulista (UNESP), 2009. http://hdl.handle.net/11449/91889.
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De acordo com os resultados observacionais de condensações de nuvens moleculares escuras, grandes variações na razão 13CO/C18O são observadas quando se comparam os resultados obtidos nas condensações situadas dentro da mesma nuvem, bem como de nuvem para nuvem. O valor médio dessa razão na condensação principal de Ophiuchus é inferior a 5. Por outro lado, o valor encontrado nas condensações que estão situadas ao norte de Oph é maior que 10. Grandes diferenças também são encontradas quando se comparam os resultados observacionais de diferentes nuvens escuras, tais como Ophiuchus e Taurus, onde são observados também um decréscimo da razão C18O/C17O com o aumento da densidade. Os processos químicos e físicos que governam essas variações ainda não estão claros. Nesse sentido, o objetivo da presente proposta é analisar a influência do colapso gravitacional de condensações de nuvens moleculares escuras na síntese das moléculas CO, C17O, C18O, 13CO, 13C17O e 13C18O. Tal análise é feita com base em comparações entre modelos que consideram diferentes condições entre si, tais como, tamanho da cadeia química, velocidade de colapso, densidade inicial e processos de congelamento de espécies químicas na superfície de grãos de poeira. Os resultados obtidos mostram que o tamanho da cadeia química tem influência nas razões 13CO/C18O e C18O/C17O, mas não tanto quanto a densidade inicial e a velocidade do colapso. Além disso, o congelamento das espécies químicas nos grãos é mais significativo nos estágios mais avançados da evolução da condensação. Os modelos de condensações escuras que sofrem colapso gravitacional lento e em queda livre reproduzem satisfatoriamente as razões 13CO/C18O e C18O/C17O observadas, o que permite concluir que o colapso gravitacional pode ter um importante efeito nas referidas razões.
According to the observational results of dark molecular clouds condensations, large variations in the ratio 13CO/C18O are observed when comparing the results obtained in the condensations located within the same cloud and cloud to cloud. The average value of this ratio in the main condensation of Ophiuchus is below 5. On the other hand, the value found in the condensations that are located north of Oph is larger than 10. Large differences are also found when comparing the observational results of different dark clouds such as Ophiuchus and Taurus, in which are also found a decrease of the C18O/C17O ratio with increasing density. The chemical and physical processes that govern these variations are still unclear. In this sense, the objective of this proposal is to analyze the influence of the gravitational collapse of centrally condensed clumps of dense molecular gas in the synthesis of the CO, C17O, C18O, 13CO, 13C17O and 13C18O molecules. This analysis is based on comparisons among models that consider different condition, such as, chemical chain, initial density, speed of collapse and freezing processes of the chemical species on the surface of dust grains. The results show that the size of the chemical chain has influence on the 13CO/C18O and C18O/C17O ratios, but they are not as important as the initial density and the speed of the collapse. Furthermore, the freezing of chemical species on the grains occurs at later times of the collapse. The models of a gravitational free-fall collapsing core and of slowly contracting core with higher initial density are consistent with observations. These results indicate that the gravitational collapse of molecular cores can have an important effect in the 13CO/C18O and C18O/C17O ratios.
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Smith, Arfon. "Dust and molecules in interstellar, circumstellar and extragalactic environments." Thesis, University of Nottingham, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.438422.
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Doronin, Mikhail. "Adsorption on interstellar analog surfaces : from atoms to organic molecules." Thesis, Paris 6, 2015. http://www.theses.fr/2015PA066254/document.
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Les interactions gaz-grains jouent un rôle important dans la chimie des milieux interstellaires et protoplanétaires. Le paramètre-clé qui gouverne les échanges entre la surface des grains et la phase gazeuse est l’énergie d’adsorption Ea. Ce travail a pour but de développer une approche jointe expérimentale et théorique afin de déterminer les énergies d’adsorption pour des atomes et molécules d’intérêt astrophysique sur des substrats-modèles des surfaces des grains de poussière interstellaires. Expérimentalement, la méthode employée est la désorption programmée en température (TPD). Le travail a contribué en l’établissement d’une méthode de traitement des courbes de désorption, basée sur une distribution d’énergie d’adsorption et utilisant un set limité de données à plusieurs rampes de chauffage, pour déterminer le couple de paramètres de l’équation de Polanyi-Wigner que sont l’énergie d’adsorption et le préfacteur. D’un point de vue de la chimie théorique, les énergies d’adsorption sont déterminées en utilisant la théorie de la fonctionnelle de la densité (DFT) implémentée dans le module Vienna Ab initio Simulation Package (VASP). Cette méthode permet également d’accéder aux géométries d’adsorption, ainsi qu’aux différents sites sur la surface. La méthode expérimentale a été validée par une comparaison avec un système connu : l’adsorption du méthanol CH3OH sur le graphite. L’adsorption des gaz rares Ar/Kr/Xe sur les glaces d’eau a été étudiée comme un cas d’intérêt pour la planétologie. L’adsorption de l’acétonitrile (CH3CN) et de son isomère l’isoacétonitrile (CH3NC) sur les surfaces de graphite, de quartz et de glaces d’eau a également été étudiée, puisque ces deux molécules sont détectées dans le milieu interstellaire. Les énergies d'adsorption trouvées dans le cadre de ce travail seront intégrées dans la base des données KIDAGas-grain interaction plays an important role in the chemistry of the cold interstellar medium and protoplanetary disks. A key parameter for modeling the exchange between grain surfaces and gas phase is adsorption energy, Ea. This work aims to develop a reliable and systematic experimental/theoretical approach to determine the adsorption energies of relevant atoms and molecules on models of interstellar grain surfaces. Employed experimental technique is the Temperature Programmed Desorption. Developed experimental protocol and data treatment technique based on distribution of adsorption energies and use of a set of heating rates enable to determine the coupled parameters of Polanyi-Wigner equation: adsorption energy Ea and prefactor N. Computational chemistry approach, Density Functional Theory (DFT) as implemented in Vienna Ab initio Simulation Package (VASP) is used to get the insight on the behaviour of the surface-adsorbate systems at the atomic level. This approach allows as well to determine adsorption energies. A presence of multiple adsorption sites with different adsorption energies is predicted. Methanol CH3OH adsorption on graphite is used as a known example to validate the technique. Ar/Kr/Xe adsorption on water ice is studied as a case relevant for planetology. Acetonitrile (CH_3CN) and methyl isocyanide (CH_3NC) adsorption on water ice, quartz and graphite is investigated since those two molecules are both detected in the interstellar medium. Adsorption energies determined in this work will be included in KIDA database
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Hunt, Maria, University of Western Sydney, of Science Technology and Environment College, and School of Engineering and Industrial Design. "Molecules in southern molecular clouds: a millimetre-wave study of dense cores." THESIS_CSTE_EID_Hunt_M.xml, 2001. http://handle.uws.edu.au:8081/1959.7/116.
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This thesis presents an observational study of molecular abundances in the dense cores of 27 prominent molecular clouds in the southern galactic plane.The molecular abundances and physical conditions in dense condensations have been derived from millimetre-wavelength observations of molecular rotational transitions.The study has produced a comprehensive data set of transition intensities and abundances for 10 different molecules in bright southern molecular clouds, and the general characteristics of emissions from these molecules such as optical depth, excitation and relative abundances are discussed. A comparison of different methods of calculating molecular hydrogen column density from observations of carbon monoxide emission is included.Both the analysis and the data collected provide an excellent starting point for further observational and theoretical studies of molecular clouds in the southern Milky Way utilising new instruments such as the millimeter-wave upgrade to the Australia Telescope Compact Array and the Attacama Large Millimetre Array (ALMA).Doctor of Philosophy (PhD)
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Hunt, Maria. "Molecules in southern molecular clouds: a millimetre-wave study of dense cores." Thesis, View thesis View thesis, 2001. http://handle.uws.edu.au:8081/1959.7/116.
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This thesis presents an observational study of molecular abundances in the dense cores of 27 prominent molecular clouds in the southern galactic plane.The molecular abundances and physical conditions in dense condensations have been derived from millimetre-wavelength observations of molecular rotational transitions.The study has produced a comprehensive data set of transition intensities and abundances for 10 different molecules in bright southern molecular clouds, and the general characteristics of emissions from these molecules such as optical depth, excitation and relative abundances are discussed. A comparison of different methods of calculating molecular hydrogen column density from observations of carbon monoxide emission is included.Both the analysis and the data collected provide an excellent starting point for further observational and theoretical studies of molecular clouds in the southern Milky Way utilising new instruments such as the millimeter-wave upgrade to the Australia Telescope Compact Array and the Attacama Large Millimetre Array (ALMA).
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Peppe, Salvatore. "Some unusual, astronomically significant organic molecules." Title page, contents and abstract only, 2002. http://web4.library.adelaide.edu.au/theses/09PH/09php4241.pdf.
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Appendix inside back cover. "June 2002" Bibliography: leaves 157-168. Experimental and theoretical studies were carried out on a number of unusual organic molecules of potential astronomical significance. The experimental work was corroborated by various theoretical approaches and by utilising computer-based quantum chemical calculations. Various covalently bound, anionic and neutral oxocarbon species were formed and studied. Additionally, two analogous heterocumulenic systems were investigated. Some isomers of either system, when energised, were shown to undergo gas-phase rearrangement processes.
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Bolina, Amandeep Singh. "Adsorption of astrochemically relevant molecules on interstellar dust grain analogue surfaces." Thesis, University College London (University of London), 2005. http://discovery.ucl.ac.uk/1445324/.
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In the last few decades, astronomers have found that interstellar clouds are chemical factories, in which atoms are processed into more complex chemical species in reactions energized by starlight and fast particles. Many of the identified molecules are formed in networks of ion-molecule and neutral-neutral reactions and, at the low temperatures in the interstellar medium (-15 K), can accrete on the surface of interstellar dust grains to form ices. However, it is widely speculated that some of these interstellar ices can only form sufficiently rapidly if the more abundant atoms, and carbon monoxide, are hydrogenated on the surface of dust grains. Hence, there is an urgent need for data concerning gas-grain interactions, especially with regard to whether addition reactions can take place on dust grains. This thesis presents detailed information on the adsorption and desorption of water, methanol and ammonia on suitable dust grain analogue surfaces, using a combination of temperature programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS). All three adsorbates show evidence for molecular adsorption in a physisorbed state. In addition, various degrees of hydrogen bonding are observed in the multilayer. Crystallisation is also observed to take place during the desorption of the ices in both RAIRS and TPD studies. Detailed analysis of the TPD spectra has been performed for all adsorption systems to give desorption energies, desorption orders and pre-exponential factors. The information obtained from these experiments has been incorporated into simple simulations under astrochemically relevant conditions (i.e. low heating rates and appropriate ice thicknesses). These simulations can be directly incorporated into astronomical models. This in turn helps to lead to a greater understanding of star formation, and hence of the Universe in which we live.
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Hunt, Maria. "Molecules in southern molecular clouds : a millimetre-wave study of dense cores /." View thesis View thesis, 2001. http://library.uws.edu.au/adt-NUWS/public/adt-NUWS20030416.160909/index.html.
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Marchione, Demian. "Thermal and non-thermal processes of simple molecules on model interstellar ices." Thesis, Heriot-Watt University, 2015. http://hdl.handle.net/10399/3010.
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Thin film growth and desorption behaviour of simple molecules have been studied by means of surface science techniques, such as mass spectrometry and reflectionabsorption infrared spectroscopy (RAIRS), in order to understand the physiochemical processes and intermolecular interactions in model interstellar ices. The systems of interest comprise a silica surface, representing the bare grains in the interstellar medium, and films of water (H2O), methanol (CH3OH), diethyl ether ((CH3CH2)2O) and benzene (C6H6). While H2O and CH3OH are key components of the icy mantles, (CH3CH2)2O and C6H6 are found in lower abundances being two products, among many, of the rich chemistry occurring in these environments. Temperature programmed desorption and IR signatures of pure solid H2O, CH3OH, and (CH3CH2)2O adsorbed on amorphous silica were compared as a function of surface coverage and temperature. H2O and (CH3 CH2)2O display opposite behaviours, consistent with two-dimensional island formation and wetting of the amorphous silica surface respectively. CH3OH, being intermediate between the two species, exhibited aspects of both behaviours. Temperature programmed RAIRS has revealed evidence for thermal activation of di↵usion of H2O over the amorphous silica surface between 40 K and 60 K, and of CH3OH between 20 K and 40 K, while no conclusive evidence was found for such with (CH3CH2)2O. Experiments have been performed to study the thermal desorption and the IR features of C6H6 on CH3OH and (CH3CH2)2O solids in comparison to those on a solid H2O substrate at 110 K. The results give a clear picture of the C6H6 film growth from low to high coverages. Ab initio quantum chemical calculations highlight the key interactions between the two species for each system, C6H6/H2O, C6H6/CH3OH and C6H6/(CH3CH2)2O, in support of the interpretation of the data. Building on this basis, 250 eV electron irradiation of C6H6 on thick ices of H2O, or CH3OH, or (CH3CH2)2O was investigated to demonstrate the crucial role of hydrogen-bonding in propagating electronic excitation to the solid-vacuum interface where C6H6 desorption can occur. Competitive electron-induced chemistry in the form of molecular hydrogen (H2) formation was also observed. The electron beam used in the these experiments is inelastically scattered by the molecules in the solid ices forming a similar flux of electrons to that associated to cosmic rays. Conclusions related to the impact of these observations on the early phase of icy interstellar grain chemistry are discussed.
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Vazart, Fanny. "Gas-phase formation of Complex Organic Models molecules in interstellar medium: computational investigations." Doctoral thesis, Scuola Normale Superiore, 2017. http://hdl.handle.net/11384/85813.
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[excerpt form the abstract:] In the field of astro- and prebiotic chemistry, the building blocks of life, which are molecules composed of more than 6 atoms, are called Complex Organic Molecules (COMs). Their appearances on the early inorganic Earth is therefore one of the major issues faced by researchers interested in the origin of life. In this thesis, split into three parts, the main purpose is to show how different COMs are formed in interstellar medium (ISM), using computational chemistry.
The first part focuses mainly on preliminary studies aiming at evaluating the appropriate level of theory to use to perform studies of formation reactions. First, a comprehensive benchmark of C≡N stretching vibrations computed at harmonic and anharmonic levels is reported with the goal of proposing and validating a reliable computational strategy to get accurate results for this puzzling vibrational mode, involved in biological molcules, without any ad hoc scaling factor.
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Gatchell, Michael. "Molecular Hole Punching : Impulse Driven Reactions in Molecules and Molecular Clusters." Doctoral thesis, Stockholms universitet, Fysikum, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-129523.
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When molecules are excited by photons or energetic particles, they will cool through the emission of photons, electrons, or by fragmenting. Such processes are often thermal as they occur after the excitation energy has been redistributed across all degrees-of-freedom in the system. Collisions with atoms or ions may also lead to ultrafast fragmentation in Rutherford-like scattering processes, where one or several atoms can literally be knocked out of the molecule by the incoming projectile before the energy can be completely redistributed. The resulting fragmentation pathways can in such knockout processes be very different from those in thermal processes. This thesis covers extensive studies of collisions between ions/atoms and isolated Polycyclic Aromatic Hydrocarbon (PAH) molecules, isolated fullerene molecules, or clusters of these. The high stabilities and distinct fragmentation channels make these types of molecules excellent test cases for characterizing knockout-driven fragmentation and the reactions that these processes can lead to. I will present experimental measurements for a wide range of energies and compare them with my own molecular dynamics simulations and quantum chemical calculations. In this thesis, I present an in-depth study of the role of knockout in the energetic processing of molecules and clusters. The competition between knockout and thermally driven fragmentation is discussed in detail. Knockout-driven fragmentation is shown to result in exotic fragments that are far more reactive than the intact parent molecules or fragments from thermal processes. When such reactive species are formed within molecular clusters efficient molecular growth can take place on sub-picosecond timescales. The cluster environments are crucial here because they protect the newly formed molecules by absorbing excess energy. This is a possible pathway for the growth of large PAHs, fullerenes, and similar carbonaceous complexes found in, for instance, the interstellar medium.At the time of the doctoral defense, the following paper was unpublished and had a status as follows: Paper 1: Submitted.
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Jacob, Arshia Maria [Verfasser]. "Small Molecules, Big Impact : Investigating Hydrides in the Interstellar Medium / Arshia Maria Jacob." Bonn : Universitäts- und Landesbibliothek Bonn, 2021. http://d-nb.info/1238687237/34.
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Vichetti, Rafael Mário. "Síntese dos isótopos do monóxido de carbono no meio interestelar /." Rio Claro : [s.n.], 2009. http://hdl.handle.net/11449/91889.
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Orientador: Carmen Maria AndreazzaBanca: Edson Denis Leonel
Banca: José Williams dos Santos Vilas Boas
Resumo: De acordo com os resultados observacionais de condensações de nuvens moleculares escuras, grandes variações na razão 13CO/C18O são observadas quando se comparam os resultados obtidos nas condensações situadas dentro da mesma nuvem, bem como de nuvem para nuvem. O valor médio dessa razão na condensação principal de Ophiuchus é inferior a 5. Por outro lado, o valor encontrado nas condensações que estão situadas ao norte de Oph é maior que 10. Grandes diferenças também são encontradas quando se comparam os resultados observacionais de diferentes nuvens escuras, tais como Ophiuchus e Taurus, onde são observados também um decréscimo da razão C18O/C17O com o aumento da densidade. Os processos químicos e físicos que governam essas variações ainda não estão claros. Nesse sentido, o objetivo da presente proposta é analisar a influência do colapso gravitacional de condensações de nuvens moleculares escuras na síntese das moléculas CO, C17O, C18O, 13CO, 13C17O e 13C18O. Tal análise é feita com base em comparações entre modelos que consideram diferentes condições entre si, tais como, tamanho da cadeia química, velocidade de colapso, densidade inicial e processos de congelamento de espécies químicas na superfície de grãos de poeira. Os resultados obtidos mostram que o tamanho da cadeia química tem influência nas razões 13CO/C18O e C18O/C17O, mas não tanto quanto a densidade inicial e a velocidade do colapso. Além disso, o congelamento das espécies químicas nos grãos é mais significativo nos estágios mais avançados da evolução da condensação. Os modelos de condensações escuras que sofrem colapso gravitacional lento e em queda livre reproduzem satisfatoriamente as razões 13CO/C18O e C18O/C17O observadas, o que permite concluir que o colapso gravitacional pode ter um importante efeito nas referidas razões.
Abstract: According to the observational results of dark molecular clouds condensations, large variations in the ratio 13CO/C18O are observed when comparing the results obtained in the condensations located within the same cloud and cloud to cloud. The average value of this ratio in the main condensation of Ophiuchus is below 5. On the other hand, the value found in the condensations that are located north of Oph is larger than 10. Large differences are also found when comparing the observational results of different dark clouds such as Ophiuchus and Taurus, in which are also found a decrease of the C18O/C17O ratio with increasing density. The chemical and physical processes that govern these variations are still unclear. In this sense, the objective of this proposal is to analyze the influence of the gravitational collapse of centrally condensed clumps of dense molecular gas in the synthesis of the CO, C17O, C18O, 13CO, 13C17O and 13C18O molecules. This analysis is based on comparisons among models that consider different condition, such as, chemical chain, initial density, speed of collapse and freezing processes of the chemical species on the surface of dust grains. The results show that the size of the chemical chain has influence on the 13CO/C18O and C18O/C17O ratios, but they are not as important as the initial density and the speed of the collapse. Furthermore, the freezing of chemical species on the grains occurs at later times of the collapse. The models of a gravitational free-fall collapsing core and of slowly contracting core with higher initial density are consistent with observations. These results indicate that the gravitational collapse of molecular cores can have an important effect in the 13CO/C18O and C18O/C17O ratios.
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Harrison, S. "Electron-collisions with molecules of interstellar and plasma interest via the R-Matrix method." Thesis, University College London (University of London), 2012. http://discovery.ucl.ac.uk/1370630/.
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Here the ab-initio R-Matrix method has been used to carry out electron-molecule collision calculations on the the molecules of interstellar interest C3N, C2H & CN, and molecules found in industrial plasma applications SiBr, SiBr2 and NaI. These were carried out using the UK Molecular R-Matrix codes, along with the Quantemol expert system for running these codes. Calculations have also been carried out on electron collisions with atomic oxygen using these codes, with details included about the problems faced in running an atomic calculation with the molecular codes. Calculations on each species include comparison of different models, including staticexchange and close-coupling models (with different size CAS tried), various basis sets, and for some species different initial orbitals. These different initial orbitals were either taken from the codes themselves (for SCF orbitals), or the quantum chemistry program MOLPRO (for natural orbitals), for the latter numerous state averaged orbitals were tried with different weightings in order to produce good target energies for carrying into the scattering calculation. Results for all calculations include scattering observables such as eigenphase sums, elastic and excitation cross-sections, bound anionic states and resonance positions and widths. Also a new theory has been developed for calculating rotational cross-sections which includes the spin angular momentum of the incoming scattering electron, this has been implemented into the already existing code ROTLIN, which can calculate rotational cross-sections using the scattering data from an R-Matrix calculation.
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Skolimowska, Ewelina Szymanska. "Dissociative electron attachment and dipolar dissociation processes in organic molecules found in the interstellar medium." Thesis, Open University, 2014. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.606955.
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In this thesis, the results of a series of experimental studies of electron induced anion formation are presented for a number of molecular targets. The motivation of this work was the discovery of anions in interstellar space and in planetary atmospheres raising the question of how such species are formed. Molecular anions are commonly formed by electron impact via the Dissociative Electron Attachment (DEA) and Dipolar Dissociation (DD) with the simultaneous formation of neutral often reactive species (in case of DEA) and cationic fragments (in case of DD). These fragments may then undergo reactions leading to the chemical synthesis of larger stable products. Thus electron induced chemistry may provide a hitherto unexplored route of molecular synthesis and aid in our understanding of the role of anions in interstellar and atmospheric chemistry. .
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El, Yajouri Meriem. "Diffuse Interstellar Bands (DIBs) : a new look at an old problem." Thesis, Paris Sciences et Lettres (ComUE), 2018. http://www.theses.fr/2018PSLEO017/document.
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Les bandes interstellaires diffuses (DIBs) représentent un mystère centenaire : aucune des centaines de bandes n'a pu être identifiée avec certitude avec un porteur spécifique, à l'exception très probable du cation buckminsterfullerène C60+. Il est obligatoire d'identifier et de quantifier la quantité de grosses molécules carbonées interstellaires qui sont très probablement responsables des DIBs : Les porteurs de DIB représentent probablement le plus grand réservoir de matière organique dans le Milieu interstellaire (MIS) et constituent un élément important de la chaîne des processus qui régissent le cycle interstellaire/stellaire. Jusqu'à récemment, la plupart des études liées aux DIBs avaient pour objectif unique l'identification des porteurs et, pour ce faire, se concentraient sur un nombre limité d'étoiles chaudes, distantes et rougies. Mon travail de recherche en thèse marque un tournant dans les méthodes et les objectifs associés aux DIBs, une évolution permise et motivée par le nombre croissant de relevés stellaires avec des instruments de plus en plus puissants à haute résolution spectrale. En effet, il est aujourd'hui possible de recueillir des quantités massives de données, tant du point de vue du nombre d'étoiles cibles que du point de vue du nombre de DIBs observées simultanément. Cela a ouvert la voie à de nouveaux types d'études, à des objectifs plus ambitieux et, surtout, à de nouvelles comparaisons potentielles avec les données de laboratoire. Ma thèse présente un grand nombre d'extractions de DIBs et quatre de ces nouvelles analyses :- Méthodes d'extraction et recherche de nouvelles DIBs.- Lien avec les propriétés physiques des nuages.- Constitution de bases de données pour la cartographie du MIS.- Tomographie des structures individuelles.- Des extractions de profils de DIBs basées sur des lignes de visée soigneusement sélectionnées, des études de leurs sous-structures et de leur variabilité spatiale et des contraintes subséquentes sur leurs porteurs moléculaires potentielsDiffuse interstellar bands (DIBs) represent a century-old mystery: none of the hundreds of bands could be identified with certainty with a specific carrier, at the very likely exception of the buckminsterfullerene cation C60+. Identifying and quantifying the amount of the large interstellar carbonaceous molecules that are very likely responsible for the DIBs is mandatory: DIB carriers likely represent the largest amount of organic matter in the Universe and are an important piece of the chain of processes that govern the interstellar/stellar cycle.Up to recently, most of the DIB studies have had as a unique goal the identification of the carriers, and to do so have been focusing on a limited number of hot, distant and reddened stars, using increasingly powerful instruments. This thesis marks a turning point in the methods and goals associated with the DIBs, an evolution allowed and motivated by the increasing number of stellar surveys with high multiplex instruments. As a matter of fact, it is possible today to gather massive amounts of data, both from the point of view of the number of target stars and from the point of view of the number of DIBs simultaneously observed. This has opened the way to new types of studies, more ambitious goals, and, importantly, new potential comparisons with laboratory data. This thesis presents a large number of DIB extractions and four of these novel analyses :- Methods of extraction and search for new DIBs.- Statistical studies of the link between DIB strengths and the physical properties of their hosting clouds.- Tomographic studies of the carriers on large and small spatial scales.- Line profile extractions based on carefully selected sightlines, studies of their substructures and spatial variability and subsequent constraints on their potential molecular carriers
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Kurdi, Louay. "Etude theorique des interactions intermoleculaires a grandes et moyennes distances dans le systeme de molecules interstellaires nh : :(3)+h::(2)." Université Louis Pasteur (Strasbourg) (1971-2008), 1987. http://www.theses.fr/1987STR13174.
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Etude des excitations rotationnelles de l'ammoniac nh::(3) lors de ses collisions avec la molecule h::(2) qui presentent un interet en astrophysique. Determination de la surface du potentiel d'interaction par calculs de type ab-initio
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Stantcheva, Tatiana. "Application of stochastic approaches to modeling of interstellar chemistry." Connect to this title online, 2004. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1085581872.
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Thesis (Ph. D.)--Ohio State University, 2004.Title from first page of PDF file. Document formatted into pages; contains xii, 146 p.; also includes graphics (some col.) Includes bibliographical references (p. 141-146). Available online via OhioLINK's ETD Center
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Pouladsaz, Davoud. "From Interstellar Medium to Nanosurfaces: A Theoretical Study of Electronic Structure and Spectroscopic Properties of Molecules and Clusters." Doctoral thesis, Universitätsbibliothek Chemnitz, 2012. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-qucosa-96529.
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This work tries to show the significant competence and functionality of density functional theory (DFT) and time-dependent density functional theory (TD-DFT) as theoretical approaches, supporting experimental measurements in various fields of physics from astrophysics to surface science, to study the electronic structure and spectroscopic properties of molecules and clusters:
Silicon nanocrystals: Due to their optical properties, silicon nanocrystals have attracted considerable attention in astrophysics. In this work, the optical properties of H-passivated silicon nanocrystals are determined by the energetics of the frontier orbitals and their dependence on the deformation in the relaxed excited state, using DFT and TD-DFT. The Jahn-Teller effect in the lowest excited state results in a distortion toward tetragonal symmetry, contributing significantly to the red shift of the photoluminescence (PL) spectra. Therefore, the deformation in the relaxed excited state consists of a symmetry conserving part and of a symmetry-breaking distortion from Td toward D2d. For nanocrystals up to a diameter of 1.5 nm, we project the deformations at the minima of the excited state potential surface onto the different symmetries, allowing for a discrimination of the respective contributions to the total Stokes shift. The results show a quantitative agreement between the TD-DFT calculations of PL gap and the observed PL energies better than 0.2 eV. It is also seen that the large PL linewidth is the fundamental property of each cluster, not of ensemble average over clusters of different size.
2,3-Benzofluorene: We have presented new theoretical results on the absorption spectroscopy of 2,3-benzofluorene (Bzf) for the transition from the ground state, S0, to the first electronically excited singlet state, S1, to support the measurements of S1(1A´) <- S0(1A´) absorption spectrum of jet-cooled Bzf. The potential energy surfaces (PESs) of the S(n=0,1,2) states of Bzf have been investigated with calculations based on DFT and TD-DFT. At the B3LYP/TZ level of theory, TD-DFT does not deliver a realistic difference between the excited S1 and S2 potential energy surfaces, a problem which can be avoided by introducing a reference geometry (q*) where this difference coincides with the observation. In this geometry, an expression for the Herzberg-Teller corrected intensities of the vibronic bands is proposed, allowing a straightforward assignment of the observed a′ modes below 900 cm−1, including realistic calculated intensities. In spite of the difficulties caused by the small energy difference between the S1 and S2 states, we have obtained a reasonable theoretical absorption spectrum based on a TD-DFT approach applied to the slightly modified molecular geometry. Although the agreement between the theoretical and observed spectra is very good only for vibrational modes with frequencies lower than 900 cm−1, we consider our calculations to be the best approach to an ab initio study realized for Bzf until now since only parametrized force fields had been used before.
(Ni–, Pd–, Pt–) Phthalocyanine: We studied the HOMO–LUMO gap shrinking in order to investigate the tip-induced polarization in scanning tunneling spectroscopy (STS) of d8 (Ni, Pd, and Pt) phthalocyanines. By means of DFT, the electronic structure and vibronic properties of single neutral NiPc, PdPc, and PtPc and their singly and doubly ionized cations and anions have been calculated. Interestingly, the position of the HOMO decreases systematically with increasing the atomic number of the central metal atom. The first ionization energies of neutral molecules increase by changing the central metal atom, while the electron affinities remain constant. This causes an increase in the HOMO–LUMO gap. These results show a clear correlation to experimental observations. Furthermore, partitioning of the reorganization energy, corresponding to the photoelectron spectra of the first and second ionizations of studied molecules, into normal mode contributions shows that the major contributions are due to several vibrational modes with a1g symmetry and energies lower than 1600 cm−1. The results reveal that the reorganization energy due to the singly positive ionization in the studied molecules is about one order of magnitude less than other reorganization energies, which makes these metal–phthalocyanines more attractive as electron donor for intramolecular electron transfer in electron acceptor–donor systems.
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Pearcy, Adam C. "Non-covalent and covalent interactions between phenylacetylene and quinoline radical cations with polar and non-polar molecules in the gas phase." VCU Scholars Compass, 2019. https://scholarscompass.vcu.edu/etd/5990.
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Gas phase molecular clusters present an ideal medium for observing factors that drive chemical reactions without outside interferences from excessive solvent molecules. Introducing an ion into the cluster promotes ion-molecule interactions that may manifest in a variety of non-covalent or even covalent binding motifs and are of significant importance in many fields including atmospheric and astronomical sciences. For instance, in outer space, molecules are subject to ionizing radiation where ion-molecule reactions become increasingly competitive to molecule-molecule interactions. To elucidate individual ion-molecule interaction information, mass spectrometry was used in conjunction with appropriate theoretical calculations.
Three main categories of experiment were conducted in this dissertation. The first of which were thermochemical equilibrium measurements where an ion was introduced to an ion mobility drift cell wherein thermalizing collisions occur with helium buffer gas facilitating a reversible reaction with a neutral molecule allowing the standard changes in enthalpy and entropy to be determined. The second type of experiment was an ion mobility experiment where an ionized homo- or hetero-cluster was injected into the drift cell at specific conditions allowing the reduced mobility and collisional cross-section to be evaluated. Thirdly, kinetics measurements were taken following injection of an ion into the drift cell were an irreversible reaction ensued with the neutral species hindering equilibrium, but prompting rate constant assessment.
Previous research has laid the groundwork for this dissertation as the results and discussion contained herein will build upon existing data while maintaining originality. For example, past work has given support for ion-molecule reactions involving precursor species such as acetylene and hydrogen cyanide to form more complex organics, perhaps leading to biologically relevant species. The chemical systems studied for this research are either ionized substituted benzenes like phenylacetylene and benzonitrile or polycyclic aromatic nitrogen-containing hydrocarbons like quinoline and quinoxaline interacting with a variety of neutral species.
Hydrogen bonding and its many sub-sections are of the utmost importance to the kinds of reactions studied here. Past work has shown the tendency of organic radical cations to form conventional and unconventional ionic hydrogen bonds with gas phase solvents. Other non-covalent modes of interaction have also been detected in addition to the formation of covalently bound species. Gas phase reactions studied here will explore, via mass-selected ion mobility, reversible and irreversible reactions leading to binding enthalpy and entropy and rate constant determination, respectively, in addition to collisional cross-section determination.
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Zhou, Luwenjia. "Probing the processes driving distant and local star-formation in galaxies through dust and molecules." Thesis, université Paris-Saclay, 2020. http://www.theses.fr/2020UPASP099.
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Les études sur l'évolution des galaxies ont été révolutionnées au cours des dernières décennies grâce aux nouveau télescopes et aux instruments de pointe. Les interféromètres Herschel, ALMA et NOEMA permettent d'observer l'émission des poussières tracant la formation des étoiles, invisible dans les bandes infrarouges proche observées par les télescopes optiques. Dans cette thèse, je me concentre sur la formation des étoiles aux grandes échelles des galaxies (~kpc). En utilisant les données des téléscopes Herschel, ALMA, NOEMA, et SAMI IFU, ma thèse tente de mettre en lumière les questions suivantes : (1) Comment les premières galaxies ont-elles formé des étoiles à partir du gaz contenant peu de métaux ? (2) Comment les galaxies massives du début de l'Univers ont-elles rapidement constitué leur masse et finalement cessé de former des étoiles ? (3) Quel est le rôle joué par les environnements dans lesquels elles résident ? (4) Comment la rétroaction de la formation des étoiles affecte-t-elle la cinématique des galaxies ? Premièrement, je présente l'étude de six galaxies optiquement sombres extraites de l'étude GOODS-ALMA (la plus grande étude cosmologique à 1,1m) dont le décalage vers le rouge est supérieur à z=3. Je présente des preuves que quatre d'entre elles appartiennent à la même surdensité de galaxies, situé à z~3.5. L'une d'entre elles, AGS24, est la galaxie la plus massive, sans noyau galactique actif et situé à z>3. Cette dernière se situe également au centre du pic de densité de surface des galaxies, suggèrant que la surdensité environnante est un proto-amas en cours de virialisation et qu'AGS24 est un candidat progéniteur d'un futur amas de galaxie plus brillant. Deuxièmement, en me basant sur une observation NOEMA, j'ai étudié la teneur en gaz moléculaire dans IZw18, l'une des galaxies les plus pauvres en métal de l'Univers local. J'ai obtenu une limite supérieure d'émission de CO(J=2-1) qui est dix fois plus faible que précédemment déterminée, ceci malgré la forte activité de formation d'étoiles. Sa faible teneur en CO (par rapport à sa luminosité infrarouge), son taux de formation d'étoiles, et sa luminosité [CII] indiquent un changement drastique dans la structure du MIS (environ quelques pourcents de la métallicité solaire). En particulier, la luminosité élevée [CII] par rapport au CO implique un réservoir moléculaire plus important que l'émetteur de CO dans l'IZw18. Troisièmement, mes travaux sur les sources d'énergie des mouvements turbulents montrent qu'à des échelles inférieures au kpc, les galaxies locales formant des étoiles du relevé SAMI présentent une distribution plate de la dispersion de vitesse du gaz ionisé en fonction de la densité de surface du taux de formation d'étoiles. Cependant, le plancher de dispersion de vitesse est plus élevé que ce que prédisent les modèles "feedback-driven". Cela suggère que des sources supplémentaires à la rétroaction de formation d'étoiles entraînent des mouvements aléatoires du MIS dans les galaxies formant des étoiles.Enfin, je présente mes travaux sur l'émission de poussières spatiallement résolue des galaxies extrêmement pauvres en métaux observées par Herschel. Ces galaxies présentent des températures de poussière plus élevées et des indices d'émissivité plus faibles que ceux des galaxies spirales. Environ la moitié de l'émission à 100um provient de la poussière chaude (50K), par opposition à la composante froide (~20K) de la poussière. Les couleurs de l'infrarouge lointain sont toutes liées aux densités de surface des jeunes étoiles, mais pas aux densités de surface des masses stellaires. Cela suggère que leur poussière (70~350μm) est principalement chauffée par le rayonnement des jeunes étoilesStudies on galaxy evolution have been revolutionized during the last decade thanks to the state-of-the-art telescopes and instruments. Herschel Space Telescope, ALMA and NOEMA interferometers can observe the dust emission that traces star formation missed by optical to near-infrared telescopes. Their high sensitivity pushes further their detections to the most distant galaxies or the faintest local galaxies, of which the formation and evolution challenge current theories and models. And the integral field unit technique combines the spatial information with the properties extracted from spectra which allows a thorough study of galaxy kinematics. In this thesis, I focus on the large-scale (~kpc) star formation of galaxies. Taking advantage of the data from Herschel, ALMA, NOEMA, and the SAMI IFU survey, my thesis tries to put more constraints on the following questions: (1) How did the first galaxies form stars out of gas with little metal? (2) How did the massive galaxies in the early Universe rapidly build up their masses and finally stop forming stars? and (3) what is the role played by the environments they reside in? (4) How does star formation feedback affect the galaxy kinematics? A large portion of the work done in this thesis is based on the GOODS-ALMA survey, the largest cosmological survey with the large ALMA interferometer at 1.1 mm. I studied the six optically dark galaxies with redshifts greater than z =3 uncovered by this survey. We present evidence that four out of the six optically dark galaxies belong to the same overdensity of galaxies at z~3.5. One of them, AGS24, is the most massive galaxy without an active galactic nucleus at z >3 in the GOODS-ALMA field. It also falls in the very center of the galaxy surface density peak, suggesting that the surrounding overdensity is a proto-cluster in the process of virialization and that AGS24 is the candidate progenitor of the future brightest cluster galaxy. I also studied the molecular gas content in IZw18, one of the most metal poor galaxies in the local Universe based on the observation of NOEMA. I obtain an upper limit of CO J =2-1 emission, which is used as a tracer of molecular gas, to be ten times lower than previous studies despite its vigorous star formation activities. Such low CO content relative to its infrared luminosity, star formation rate and [CII] luminosity, indicates a drastic change in the structure of the ISM at around a few percentages of Solar metallicity. Especially, the high [CII] luminosity relative to CO implies a larger molecular reservoir than the CO emitter in IZw18. My work on the energy sources of the turbulent motions shows that on sub-kpc scales, local star-forming galaxies from the SAMI survey display a flat distribution of ionized gas velocity dispersion as a function of star formation rate surface density. However, the velocity dispersion floor is higher than predicted by feedback-driven models. This suggests that additional sources to star formation feedback drive random motions of the interstellar medium in star-forming galaxies. Finally I present my work on the spatially resolved dust emission of extremely metal-poor galaxies observed by Herschel. These galaxies show higher dust temperatures and lower emissivity indices compared to those of spiral galaxies. And about half of the emission at 100μm comes from warm (50,K) dust, in contrast to the cold (~20K) dust component. The far-infrared colours are all related to the surface densities of young stars, but not to the stellar mass surface densities. This suggests that their dustemission (70~350μm) is primarily heated by radiation from young stars
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Savić, Igor. "Formation of Small Hydrocarbon Ions Under Inter- and Circumstellar Conditions: Experiments in Ion Traps." Doctoral thesis, Universitätsbibliothek Chemnitz, 2004. http://nbn-resolving.de/urn:nbn:de:swb:ch1-200401322.
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Using ion-trapping techniques, selected laboratory experiments on ion-molecule reactions of astrophysical interest have been performed. For the first time a carbon beam source has been integrated into an ion trapping machine for studying collisions between ions and neutral carbon atoms and molecules. Results are presented for the interaction of D3+ ions stored in a ring-electrode trap (RET), with a beam of hot neutral carbon molecules, Cn (n = 1, 2, 3). The measured reaction rate coefficients are up to a factor two smaller than values presently used in astrophysical models. In order to complete our knowledge about the ion chemistry involving three carbon atoms, detailed investigations of reactions of C3+, C3H+ and C3H3+ with H2 and HD have been performed between 15 K and room temperature. These studies have been performed in a second apparatus, a variable-temperature 22-pole trap machine (VT-22PT). Results include reactive collisions, deuteration and radiative association. It is discussed in connection with the increase in lifetime of the C3+ + H2 collision complexes with falling temperature, what could be responsible for producing more C3H+ at 15 K. Tunneling is excluded. In C3+ + HD collisions an isotope effect has been detected, the C3D+ product ions being slightly more abundant than C3H+. Comparison of the reaction of C3H+ primary ions with HD and H2 gas revealed that the deuterated molecules are significantly more reactive. The process of radiative association of C3H+ and for the first time of C3+ with hydrogen molecules has been observed. An analysis of the data shows that radiative association becomes slower, if the neutral reactant is deuterated. Finally, the theoretical prediction from ab initio calculations that C3H3+ does not exchange an H for a D in collisions with HD, has been proven in an ion trap experiment. Careful analysis of all competing processes allows the conclusion that the rate coefficient is smaller than 4x10-16 cm3s-1 at 15 KUnter Verwendung von zwei Speicherapparaturen wurden ausgewählte, astrophysikalische wichtige Ionen-Molekülreaktionen untersucht. Durch die Kombination einer Kohlenstoffquelle mit einem Ionenspeicher, in dem so Reaktionen zwischen Ionen und Kohlenstoffmolekülen oder -atomen untersucht werden können, wurde Neuland betreten. Es werden Ergebnisse vorgestellt für die Reaktion von D3+ Ionen, die in einem Ringelektrodenspeicher gefangen sind, mit einem Strahl von heißen Cn (n = 1, 2, 3). Die gemessenen Ratenkoeffizienten sind nur halb so groß wie die Werte, die in astrophysikalischen Modellen verwendet werden. Um die Kenntnis über alle möglichen Reaktionen, bei denen drei C-Atome beteiligt sind, abzurunden, wurden zwischen 15 K und Zimmertemperatur die Reaktionen zwischen C3+, C3H+ und C3H3+ Ionen mit H2 und HD in vielen Details untersucht. Diese Experimente wurden in einer zweiten Apparatur durchgeführt, in der ein temperaturvariabler 22-Polspeicher das zentrale Element ist (VT-22PT). Berichtet werden Ergebnisse zu reaktiven Stößen, zur Deuterierung von Kohlenwasserstoffen und zur Strahlungsassoziation. In der Diskussion bleibt offen, was - in Verbindung mit der von 300 K zu 15 K zunehmenden Lebensdauer - der Grund dafür sein kann, daß die Bildung des exothermen Produkts C3H+ anwächst. Der Tunneleffekt scheidet aus. Bei der Reaktion C3+ + HD wurde ein Isotopeneffekt beobachtet, das C3D+ Produkt wird etwas häufiger gebildet als C3H+. Ein Vergleich der Reaktion zwischen C3H+ Ionen mit HD bzw. H2 zeigt, daß das deuterierte Molekül wesentlich reaktiver ist. Es wurden Ratenkoeffizienten für die Strahlungsassoziation von H2 Molekülen mit C3H+ und erstmals mit C3+ Ionen gemessen. Die Auswertung der Daten zeigt, dass der Prozeß langsamer abläuft, wenn der neutrale Stoßpartner deuteriert ist. Schließlich wurde experimentell die theoretische Vorhersage überprüft, dass C3H3+ keinen H-D Austausch mit HD eingeht. Eine sorgfältige Analyse aller konkurrierenden Prozesse ergab, dass bei 15 K der Raten koeffizient kleiner als 4x10-16 cm3s-1 ist
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Fournier, Martin. "Reactivity of C₃N and C₂H at low temperature : applications for the Interstellar Medium and Titan." Thesis, Rennes 1, 2014. http://www.theses.fr/2014REN1S100/document.
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Le milieu interstellaire ainsi que certaines atmosphères de corps planétaires, en particulier Titan, un des plus grands satellites du système solaire, présentent une grande diversité d'espèces chimiques. Cette chimie complexe est très différente de celle que nous connaissons sur Terre. Pour comprendre les phénomènes globaux qui s'y déroulent, une connaissance des réactions chimiques, de leur vitesse et de leurs produits est requise. A l'aide de la technique CRESU, nous sommes capables de reproduire certaines conditions des milieux les plus froids de l'espace et d'étudier ces réactionsThe interstellar medium and some atmospheres of planetary bodies, in particular Titan, one of the largest satellites of Saturn, present a large variety of chemical species. This complex chemistry is very different from the one we know on Earth. To understand the global phenomenon that happen in these environments, we need to understand the chemical reactions, their reaction rate and their products. With the CRESU technique, we are able to reproduce partially the coldest environments of space to study these reactions
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Chang, Qiang. "Continuous-time random-walk simulation of surface kinetics." The Ohio State University, 2007. http://rave.ohiolink.edu/etdc/view?acc_num=osu1166592142.
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Jallat, Aurélie. "Fragmentation de molécules carbonées d'intérêt astrophysique auprès des accélérateurs." Thesis, Paris 11, 2015. http://www.theses.fr/2015PA112204.
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De nos jours environ 200 molécules ont été observées dans le milieu interstellaire, environ 75% d'entre elles sont carbonées et 25% sont des hydrocarbures. Les grains de poussières contiennent également du carbone en grande quantité. La présence du carbone dans la majorité des molécules et dans les grains de poussières s'explique par son abondance et sa capacité à former des liaisons. Il est donc crucial de les étudier d'un point de vue astrochimique. Dans une première partie, ce travail présente les mesures des rapports de branchement et des énergies dissipées sous forme d'énergie cinétique dans les fragments neutres lors d'une collision à haute vitesse, des molécules carbonées suivantes : SiC, AlC, AlCH, C ₂ O, CN, CH ₂ et CH. Ces mesures ont été obtenues grâce au dispositif expérimental AGAT. Ce dernier est installé à demeure auprès de l'accélérateur Tandem d'Orsay. Il permet la collision molécule-atome en cinématique inverse et la détection 100% efficace de tous les fragments émis, y compris les neutres. Dans une seconde partie, l'effet de l'ajout ou la correction de nouveaux rapports de branchement d'hydrocarbures est discuté, sur la modélisation de la chimie de deux objets célèbres : la région de photo-dissociation de la nébuleuse de la Tête de Cheval et le nuage moléculaire TMC-1. Ces deux objets sont bien connus pour leur richesse en molécules observées. Ces nouveaux rapports de branchement diminuent les abondances calculées des espèces de la phase gazeuse, déjà trop basses par rapport aux observations. Une hypothèse stipule que des hydrocarbures sont dégagés dans la phase gazeuse via les grains de poussières carbonés. Suite à cette hypothèse, pour la première fois, les effets de l'incorporation de réactions de photo-production d'hydrocarbures par les grains de carbone amorphes hydrogénés ont été étudiés, sur la chimie de la phase gazeuse de la nébuleuse de la Tête de Cheval. L'ajout de ces réactions resserre l'écart entre la modélisation et les observationsNowadays, about 200 molecules have been observed in the interstellar medium, about 75% are carbon molecules and 25% hydrocarbons. Dust grains also contain carbon in large quantities. The presence of carbon in the majority of molecules of the gaseous phase and in the dust is due to its abundance and its ability to form bonds. So, it is crucial to study the carbon in an astrochemical point of view.In the first part, this work presents measurements of branching ratios and energy dissipated as kinetic energy in neutral fragments which are emitted in a high speed collision, of the following carbon molecules: SiC, AlC, AlCH, C ₂ O, CN, CH ₂ and CH. These measurements were obtained from the experimental setup AGAT. This setup is permanently installed at the Tandem Orsay facility. It allows molecule-atom collisions and 100% effective detection of all the transmitted fragments, including neutral ones.In the second part, the effect of the addition or correction of new hydrocarbon branching ratios is discussed, by modeling of chemistry of two famous objects: the photo-dissociation region of the Horsehead nebula and the molecular cloud TMC-1. Both objects are well known for their numerous observed molecules. These new branching ratios reduce the calculated abundances of species in the gas phase, even though these abundances were already too low compared to the observations. A hypothesis states that hydrocarbons are released into the gas phase via the carbonaceous interstellar dust. Following this assumption, for the first time, the effects of the incorporation of photo-production reactions of hydrocarbons from the hydrogenated amorphous carbons were studied on the chemistry of the gaseous phase of the Horsehead nebula. The addition of these reactions narrows the gap between modeling and observations
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Cernuto, Andrea. "Dissociative charge transfer of organic molecules induced by collisions with the He+ cation. A joint experimental and theoretical study of relevance for the interstellar medium evolution." Doctoral thesis, Università degli studi di Trento, 2017. https://hdl.handle.net/11572/368436.
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Collisions with He+ are an important pathway for the destruction of complex organic molecules in the interstellar medium (ISM). We have carried out dissociative charge transfer reactions of He+ with two oxygen containing organic molecules, ubiquitous in ISM: dimethyl ether (DME, CH3OCH3 ) and methyl formate (MF, HCOOCH3). Since they have a prebiotic relevance, several models were developed to explain how these molecules are formed and destroyed in the ISM. The reactions have been investigated by using the home-built Guided-Ion Beam Mass Spectrometer (GIB-MS) apparatus. Absolute cross sections and branching ratios of the products have been measured as a function of the collision energy in the hyperthermal energy range (i.e. from about 0.1 eV to 7 eV). The presence of the molecular ion was not observed among the products for these reactions, which means that the nascent DME and MF radical cations are formed in a dissociative state. Insights on both the charge transfer processes have been obtained by investigating the nature of the non-adiabatic transitions between the reactant and product potential energy surfaces (PES). The PES has been represented by using a semi-empirical method to model the inter-molecular interactions. To explain the experimental evidence, two excited states of DME and MF radical cations have been invoked: He+ captures an electron from inner valence orbitals of both the organic molecules, having binding energies ~10 eV higher than the HOMO. An improved Landau-Zener-Stückelberg model has been developed to obtain the total integral cross-section to be compared with the experimental results. Inter-molecular interaction and electron densities of the orbitals involved in the reaction turned out to be key points to describe the dynamics of the two studied dissociative charge transfers. A very good agreement is obtained between the experimental and calculated total cross-sections at low collision energy, which is the most relevant range for the interstellar environment. These results represent a significant starting point to estimate rate constants for the total dissociation of DME and MF by collisions with He+ ions in the ISM at low temperatures.
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Cernuto, Andrea. "Dissociative charge transfer of organic molecules induced by collisions with the He+ cation. A joint experimental and theoretical study of relevance for the interstellar medium evolution." Doctoral thesis, University of Trento, 2017. http://eprints-phd.biblio.unitn.it/2658/1/TESIdef_CERNUTO.pdf.
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Collisions with He+ are an important pathway for the destruction of complex organic molecules in the interstellar medium (ISM). We have carried out dissociative charge transfer reactions of He+ with two oxygen containing organic molecules, ubiquitous in ISM: dimethyl ether (DME, CH3OCH3 ) and methyl formate (MF, HCOOCH3). Since they have a prebiotic relevance, several models were developed to explain how these molecules are formed and destroyed in the ISM. The reactions have been investigated by using the home-built Guided-Ion Beam Mass Spectrometer (GIB-MS) apparatus. Absolute cross sections and branching ratios of the products have been measured as a function of the collision energy in the hyperthermal energy range (i.e. from about 0.1 eV to 7 eV). The presence of the molecular ion was not observed among the products for these reactions, which means that the nascent DME and MF radical cations are formed in a dissociative state. Insights on both the charge transfer processes have been obtained by investigating the nature of the non-adiabatic transitions between the reactant and product potential energy surfaces (PES). The PES has been represented by using a semi-empirical method to model the inter-molecular interactions. To explain the experimental evidence, two excited states of DME and MF radical cations have been invoked: He+ captures an electron from inner valence orbitals of both the organic molecules, having binding energies ~10 eV higher than the HOMO. An improved Landau-Zener-Stückelberg model has been developed to obtain the total integral cross-section to be compared with the experimental results. Inter-molecular interaction and electron densities of the orbitals involved in the reaction turned out to be key points to describe the dynamics of the two studied dissociative charge transfers. A very good agreement is obtained between the experimental and calculated total cross-sections at low collision energy, which is the most relevant range for the interstellar environment. These results represent a significant starting point to estimate rate constants for the total dissociation of DME and MF by collisions with He+ ions in the ISM at low temperatures.
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Pouladsaz, Davoud [Verfasser], Michael [Akademischer Betreuer] Schreiber, Michael [Gutachter] Schreiber, and Gotthard [Gutachter] Seifert. "From Interstellar Medium to Nanosurfaces: A Theoretical Study of Electronic Structure and Spectroscopic Properties of Molecules and Clusters / Davoud Pouladsaz ; Gutachter: Michael Schreiber, Gotthard Seifert ; Betreuer: Michael Schreiber." Chemnitz : Universitätsbibliothek Chemnitz, 2012. http://d-nb.info/121262713X/34.
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Edwards, Jessica Louise. "Chemistry in the Final Stages of Stellar Evolution: Millimeter and Submillimeter Observations of Supergiants and Planetary Nebulae." Diss., The University of Arizona, 2015. http://hdl.handle.net/10150/565895.
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High mass loss rates in evolved stars make them the major contributors to recycling processed material back into the interstellar medium. This mass loss creates large circumstellar shells, rich in molecular material. This dissertation presents millimeter and submillimeter studies of the end stages of low mass and high mass stars in order to probe their molecular content in more detail. In low mass stars, the molecular material is carried on into the planetary nebula (PN) stage. Observations of CS, HCO⁺, and CO in planetary nebulae (PNe) of various post-asymptotic giant branch ages have shown that molecular abundances in these objects do not significantly vary with age, as previously thought. More detailed observations of the slightly oxygen-rich PN NGC 6537 resulted in the detection of CN, HCN, HNC, CCH, CS, SO, H₂CO, HCO⁺ and N₂H⁺, as well as numerous ¹³C isotopologues. Observations of the middle-aged PN M2-48 showed the presence of CN, HCN, HNC, CS, SO, SO₂, SiO, HCO⁺, N₂H⁺, and several ¹³C isotopologues. These observations represent the first detections of CS, SO, SO₂, and SiO in any planetary nebula. The implications of these observations are discussed. A 1 mm spectral survey of the supergiant star NML Cygni has been carried out with the Arizona Radio Observatory Submillimeter Telescope resulting in the observation of 102 emission features arising from 17 different molecules and 4 unidentified features. The line profiles observed in this circumstellar shell are asymmetric and vary between different molecules, akin to what has been seen in another supergiant, VY Canis Majoris. The non-LTE radiative transfer code ESCAPADE has been used to model molecular abundances in the various asymmetric outflows of VY Canis Majoris, showing just how chemically and kinematically complex these supergiant circumstellar envelopes really are.
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Ficut-Vicas, Dana. "Star formation in LITTLE THINGS dwarf galaxies." Thesis, University of Hertfordshire, 2015. http://hdl.handle.net/2299/17095.
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In this thesis we test and expand our current knowledge of Star Formation Laws (SF laws) in the extreme environment of dwarf irregular galaxies. We focus on the SF characteristics of our 18 galaxies sample, extending current investigations of the Schmidt-Kennicutt law to the low luminosity, low metallicity regime. The Hi data used in this project have been observed, calibrated and imaged according to the LITTLE THINGS Survey prescription to which I brought my own contribution as a member of the team. Apart from high resolution, VLA data in B, C and D array configurations, this project makes use of an extensive set of multi- wavelength data (H , FUV, 24 m, 3.6 m, V-band and K-band). Molecular gas in dwarfs is very difficult to observe, mainly because due to the low metallicity environment, we lose our only molecular tracer, the CO which becomes under luminous. Therefore the gas distribution is represented by Hi gas only. We create our Star Formation Rate (SFR) maps mainly based on FUV maps because our analysis shows that FUV is the SF tracer that allows us the most extensive sampling of the SFR surface density (SFRD) and Hi surface density relation. The main results of our study are: Whereas in spiral galaxies Bigiel et al. (2008) have found a one to one relation between star formation rate and molecular gas and no relation between the SFR and the neutral gas, in a small sample of dwarfs as well as in the outskirts of spiral galaxies Bigiel et al. (2010b) has found that SFRD does correlate with Hi surface density. We confirm the existence of the SFRD vs. Hi surface density relation in dwarf irregular galaxies and a linear fitting through all our data (all 18 galaxies combined) yields a power law relation ΣSFR ∝ Σ1.87±0.3/HI . We find that the interiors of Hi shells, at 400 pc scales, become resolved and show up in SFRD versus Hi surface density plots although within the shell interior we have SFRD values but no Hi surface density related to them. Thus, the points originating from those regions contribute significantly to the increase of the scatter in the plot. We show that by excluding those points the correlation between SFRD and Hi surface density improves between 10% and 20%. Eight of the 18 galaxies in our sample have Hi maxima higher than the 10M pc-2 value found by Bigiel et al. (2008) for spiral galaxies. Krumholz et al. (2011) predicted that the 10M pc-2 threshold is metallicity dependent in galaxies with sub-solar metallicity, however the theoretically predicted values for our galaxies only match the observed Hi maxima in one case (DDO168). We find that metallicity cannot be the only factor setting the Hi to H2 transition. In fact, we find evidence that the higher the interstellar radiation field (ISRF), the higher the Hi maximum is, hence we suggest that the ISRF should also be taken into consideration in predicting the Hi to H2 transition threshold. We find that even tighter than the SFRD vs. Hi surface density relation is the SFRD vs. V-band surface density relation. Unlike the SFRD vs. Hi surface density relation the SFRD vs. V-band surface density relation follows a power law and can be written as follows: ΣSFR ∝ (10^μv)^-0.43±0.03. The SFRD vs. V-band surface density relation suggests that the existing stars also play a role in the formation of the next generation of stars. Within our sample of dwarf galaxies the average pressure per resolution element and the SFRD are in a 1:1 linear relation: ΣSFR ∝ P_h^1.02±0.05. A similar relation has been found by Blitz & Rosolowsky (2006) for the low-pressure regimes of spiral galaxies. In conclusion we find that in the extreme environments of dwarf galaxies the metal deficiency and the lack of the classic SF stimulators (spiral arms, shear motions) do not impede the star forming process. In these galaxies, dust-shielding becomes predominantly self-shielding and there is plenty of Hi available to achieve this additional task. Existing stars assume the role of pressure enhancers, which in turn will stimulate SF without the need of spiral arms or shear motion.
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Boissé, Patrick. "Systemes de raies d'absorption des quasars. Transfert de rayonnement dans un milieu inhomogene." Paris 7, 1987. http://www.theses.fr/1987PA077095.
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Premiere partie: evolution cosmologique des systemes civ. Etude statistique de la distribution en redshift. Donnees relatives aux raies fe ii et mg ii de systemes civ deja connus confirmant la presence de 2 phases distinctes: la premiere fortement ionisee de type "halo" et l'autre de type "disque". Pour deux cas etudies, on montre qu'une galaxie appartenant a l'amas contenant le quasar est responsable des raies d'absorptions. Deuxieme partie, travaux relatifs au milieu interstellaire. Transfert de rayonnement par les poussieres dans un milieu inhomogene
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Pacheco-Vazquez, Susana. "Unbiased Spectral Survey towards the intermediate-mass Class 0 protostar Cep E-mm." Thesis, Grenoble, 2012. http://www.theses.fr/2012GRENY066/document.
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Les protoétoiles de masse intermédiaire (IM) (2 ≤ M* ≤ 8 Msun) sont le lien entre les étoiles de faible et haute masse car elles couvrent également un intervalle intermédiaire de luminosités, de densités et de températures [Fuente et al., 2012]. Même si les « IM-YSOs » jouent un rôle important dans l'étude de la formation des étoiles, on a très peu de connaissances sur la formation et l'évolution des premières étapes des protoétoiles de masse intermédiaire. Les études systématiques spectrales sont un outil puissant pour caractériser la composition chimique d'un objet astrophysique, et la seule façon d'obtenir un recensement complet des espèces chimiques. Une étude spectrale fournit également des lignes multiples de la même molécule, donnant la possibilité d'une analyse multifréquences ainsi que d'une modélisation. En outre, grâce aux profils des raies, nous pouvons obtenir des informations sur la cinématique, et identifier les structures au long de la ligne de vue, en tant que sources multiples, des jets ou des cavités, par exemple, [Caux et al., 2011]. Les phénomènes d'éjection (jets, des vents et des « outflows » bipolaires moléculaires), sont une phase inhérente au processus de formation d'étoiles observées dans les YSOs de toutes masses dans des longueurs d'onde millimétriques. Cependant, il n'y a pas d'études systématiques dans l'intervalle de masse intermédiaire comme dans le cas des protoétoiles de faible et haute masse. Compte tenu de l'absence d'une étude systématique de la partie mm/submillimétrique dans le spectre des protoétoiles de masse intermédiaire, au cours de ma thèse, j'ai mené une étude systématique spectrale vers la protoétoile de masse intermédiaire de classe 0 Cep E et de son « outflow » moléculaireIntermediate-mass (IM) protostars (2 ≤ M∗ ≤8 Msun) are the link between low and the high mass stars as they cover also an intermediate range of luminosities, densities and temperatures [Fuente et al., 2012]. Even though the IM-YSOs are important in the study of star formation, very little is known about the formation and first evolutionary stages of IM protostars. Unbiased spectral surveys are a powerful tool to characterize the chemical composition of an astrophysical object, and the only way to obtain a complete census of the chemical species. A spectral survey provides also multiple lines from the same molecule, giving the possibility of a multi-frequency analysis and modeling. Also, through line profiles, we can obtain kinematic information, and identify structures along the line of sight, as multiple sources, outflows, jets or cavities, e.g. [Caux et al., 2011]. The outflow phenomena (jets, winds and bipolar molecular outflows), are an inherent phase in the process of star formation observed in YSOs of all range of masses at millimeter wavelengths. However, there are not systematic studies in IM range as in the case of of low- and high-mass protostars. Given the lack of a systematic study of the mm/submm spectrum of IM protostars, during my thesis I carried out an unbiased spectral survey towards IM Class 0 Cep E protostar and its molecular outflow
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Favre, Cécile. "Étude interférométrique du formiate de méthyle et d’autres molécules complexes dans la nébuleuse d’Orion Kleinmann-Low." Thesis, Bordeaux 1, 2010. http://www.theses.fr/2010BOR14146/document.
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Un peu plus de 150 molécules ont été détectées dans le milieu interstellaire et circumstellaire. Parmi elles, nous dénombrons une soixantaine de molécules complexes composées d'au moins 6 atomes. La chimie du milieu interstellaire, synthétisant des molécules plus ou moins complexes à la surface des grains ou en phase gazeuse, est très différente de celle connue sur Terre. À ce jour, seules l'observation et l'analyse de l'émission des différentes espèces moléculaires permettent de contraindre les modèles de chimie interstellaire.Au cours de cette thèse, j'ai recherché des molécules complexes au sein de la nébuleuse d'Orion Kleinmann-Low qui est la région de formation d'étoiles massives la plus proche de nous. De nombreuses étoiles de faible masse s'y forment également. Je me suis intéressée en particulier à la molécule du formiate de méthyle HCOOCH3 qui est une molécule complexe abondante et qui s'est révélée être un traceur de température et de structure de l'ensemble de la région étudiée. Grâce à des observations millimétriques de hautes résolutions spatiales et spectrales (respectivement de 7’’ à 2’’ et de 2.3 km/s à 0.4 km/s), obtenues avec l'interféromètre du Plateau de Bure de l'IRAM, j'ai réalisé une étude détaillée de l'émission cette molécule oxygénée dans la région du Compact Ridge. Notre étude montre que cette région particulière semble être chauffée par des mécanismes externes tels des chocs. De plus, nos observations en direction du Compact Ridge et de son voisinage tendent à confirmer la désorption suite à un choc du formiate de méthyle, ou d'un de ses précurseurs, formé à la surface des grains interstellaires.J'ai également recherché les deux isomères de formule [C2H4O2] du formiate de méthyle : le glycolaldéhyde et l'acide acétique. Leur étude a montré la difficulté de détecter des molécules peu abondantes dans Orion K-L en raison d'une confusion spectrale importante, mettant ainsi en évidence la nécessité d'observations de hautes résolutions aussi bien spatiale que spectrale pour la recherche de molécules comme le permettra l'interféromètre ALMA. Les limites supérieures de densité de colonne déduites de nos données pour le pré-sucre glycolaldehyde (CH2OHCHO, détecté dans SgrB2) sont très contraignantes pour les modèles de chimie. Nos résultats pourraient permettre une avancée dans la compréhension de l'origine de cette espèce moléculaireOver 150 different molecular species have been detected in the interstellar and circumstellar media. Among these, approximatively 60 are complex molecules and contain 6 or more atoms. The interstellar chemical processes that form more or less complex molecules, either on the surface of dust grains or in gas phase, are different from the processes we know on Earth. The only way to constrain chemical models relies on the observation and the analysis of the emission coming from various molecular species.The main goal of my PhD is to look for complex molecules in the nearest star forming region with both high and low mass stars, the Orion Kleinmann-Low nebula. I specially studied the emission of the methyl formate molecule (HCOOCH3) which appeared to be an abundant molecule and a good probe of the temperature and structure of Orion K-L.Using high spectral and spatial resolution millimetre observations (from 7’’ to 2’’ and from 2.3 km/s to 0.4 km/s, respectively) from the IRAM Plateau de Bure Interferometer, I carried out a detailed study of the emission of this O-bearing molecule towards the Compact Ridge component. Our study shows that this region seems to be heated by external mechanisms (e.g. shocks).Moreover, our observations toward the Compact Ridge region and its surroundings tend to confirm that methyl formate or a precursor seems to be formed on grain surfaces and is subsequently desorbed due to shocks.I also looked for the two isomers of methyl formate [C2H4O2] : glycolaldehyde and acetic acid. Owing to strong spectral confusion in the region, it is very difficult to detect low abundance molecules such as these two isomers. In order to lower the confusion level, higher spatial as well as spectral resolutions must be achieved which ALMA will soon allow.We derived upper limits for the column density of glycolaldehyde, a precursor of sugar (CH2OHCHO that has been detected towards SgrB2), these limits provide strong constraints for chemical models
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Orkisz, Jan. "Understanding the structure of molecular clouds : multi-line wide-field imaging of Orion B." Thesis, Université Grenoble Alpes (ComUE), 2018. http://www.theses.fr/2018GREAY045/document.
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La dernière génération de récepteurs radio, dotés à la fois d'une grande bande passante et d'une haute résolution, fait de toute observation radio-astronomique une étude spectroscopique. Dans le cas de l'imagerie à grand champ du milieu interstellaire, une telle abondance de données fournit de nouveaux outils de diagnostic, mais pose aussi de nouveaux défis en termes de traitement et d'analyse des données. L'objectif du projet ORION-B est d'observer 5 degrés carrés du nuage moléculaire OB, soit près de la moitité de la surface du nuage, dans toute la bande à 3mm. L'émission de dizaines de traceurs moléculaires à été cartographiée, ce qui inclut CO et ses isotopologues, HCO, HCN, HNC, N$_2$H$^+$, le méthanol, SO, CN...L'accès à des cartes résolues spatialement pour de nombreuse espèces chimiques nous permet d'identifier les meilleurs traceurs de la densité du gaz et de son illumination. Ces cartes ont aussi été soumises à des méthodes d'apprentissage automatique, afin de segmenter le nuage moléculaire en régions caractérisées par une émission moléculaire similaire, et de quantifier les corrélations les plus importantes entre différents traceurs moléculaires, et entre les traceurs et des quantités physiques telles que la densité ou la température des poussières.La grande surface observée, combinée à une haute résolution spatiale et spectrale, permet aussi de caractériser statistiquement la cinématique et la dynamique du gaz. La fraction de quantité de mouvement dans les modes compressifs et solénoïdaux (rotationels) de la turbulence peut être calculée, ce qui montre que le nuage est dominé par des mouvements solenoidaux, tandis que les mouvements compressifs sont concentrés dans deux régions de formation stellaire. Ce résultat est cohérent avec l a très faible efficacité de formation stellaire de ce nuage, et souligne l'importance du forçage compressif pour la formation des étoiles.Les nombreux filaments identifiés dans ce nuage moléculaire ont par ailleurs des densités relativement faibles, et sont très stables vis à vis de l'effondrement gravitationnel. La plupart des filaments sont dépourvus d'étoiles jeunes, mais ils montrent des signes de fragmentation radiale et longitudinale, ce qui indique que de la formation stellaire pourrait à l'avenir y avoir lieuThe new generation of wide-bandwidth high-resolution receivers turns almost any radio observation into a spectral survey. In the case of wide-field imaging of the interstellar medium, such a wealth of data provides new diagnostic tools, but also poses new challenges in terms of data processing and analysis. The ORION-B project aims at observing 5 square degrees of the OB molecular cloud, or about half of the cloud's surface, over the entire 3mm band. The emission of tens of molecular tracers has been mapped, including CO isotopologues, HCO, HCN, HNC, N$_2$H$^+$, methanol, SO, CN...Having access to spatially resolved maps from many molecular species enables us to identify the best tracers of the gas density and illumination. Machine learning techniques have also been applied to these maps, in order to segment the molecular cloud into typical regions based on their molecular emission, and to quantify the most meaningful correlations of different molecular tracers with each other and with physical quantities such as density or dust temperature.The wide-field coverage, together with the spatial and spectral resolution, also allows to characterize statistically the kinematics and dynamics of the gas. The amount of momentum in the compressive and solenoidal (rotational) modes of turbulence are retrieved, showing that the cloud is dominated by solenoidal motions, with the compressive modes being concentrated in two star-forming regions. This result is in line with the overall very low star formation efficiency of the cloud, and highlights the role of compressive forcing in the star formation process.The numerous filaments identified in the molecular cloud also prove to have rather low densities, and are very stable against gravitational collapse. Most filaments are starless, but they show signs of longitudinal and radial fragmentation, which indicates that star formation might occur later on
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Letzelter, Corinne. "Spectroscopie et photodissociation de la molecule de co : applications astrophysiques." Paris 6, 1987. http://www.theses.fr/1987PA066182.
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Etude des spectres d'absorption et d'emission de la molecule de co et de ses isotopes dans le domaine 88. 5 nm-125 nm. Les sections efficaces d'absorption des bandes de co entre 88. 5 nm et 115 nm ont ete mesurees en utilisant le rayonnement synchrotron comme source lumineuse. La fluorescence a ete observee dans tout le domaine uv et visible et les rendements de flourescence ont ete determines. La section efficace de photodissociation corespondante est calculee en tenant compte d'un eventuel continuum de dissociation pour lequel une limite de la section efficace d'absorption a ete donnee. Presentation des consequences de ces nouvelles donnees sur la modelisation des nuages interstellaires
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Chehrouri, Mourad. "Analyse par spectroscopies des molécules formées par interaction d'atomes H,O et N sur des surfaces simulant les grains interstellaires et prédiction des voies de réaction." Thesis, Cergy-Pontoise, 2011. http://www.theses.fr/2011CERG0514/document.
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Le travail que je présente dans cette thèse est un travail principalement expérimental effectué au sein du laboratoire LAMAp de l'Université de Cergy-Pontoise, à l'aide du dispositif expérimental appelé FORMOLISM. Les principaux composants de ce dispositif sont: l'ultravide (10-10 mbar), l'ultra-froid (~5 K), des jets atomiques, la spectrométrie de masse TPD (Thermally Programmed Desorption) et la spectroscopie laser dans l'UV mettant en oeuvre des longueurs d'onde autour de ~200 nm. Grâce à la technique REMPI-TOF (Resonantly Enhanced Multi-Photon Ionization – Time Of Flight), nous avons étudié d'une part, la conversion de spin nucléaire de la molécule d'hydrogène H2 sur une surface de glace d'eau amorphe poreuse et d'autre part les processus de formation de cette molécule, qui est la plus abondante dans le milieu interstellaire, sur des surfaces simulant des grains de poussière interstellaire. Les résultats de cette étude présentent un intérêt capital en astrophysique. En effet cette formation ne peut se produire en phase gaz mais peut être expliquée par la rencontre de deux atomes d'hydrogène sur un grain de poussière du milieu interstellaire qui joue le rôle de catalyseur. Différents processus sont impliqués dans la formation de H2 qu'il s'agit d'identifier. Dans ce but, je présente des résultats entièrement nouveaux sur la formation de H2 moléculaire sur une surface de silicate amorphe. Je montre que la molécule peut se former dans un état rovibrationnellement excité de son niveau fondamental jusqu'à une température d'environ 70K et qu'elle est relâchée dans la phase gaz immédiatement après sa formation. Ces résultats démontrent la compétition entre deux mécanismes de formation à très basses température (<18 K) tandis qu'un autre mécanisme prend le relais jusqu'à 70KThe work that I present in this thesis is primarily an experimental work carried out in the LAMAp laboratory at the University of Cergy-Pontoise, using the experimental device called FORMOLISM. The main components of this device are: ultra-high vacuum (10-10 mbar), ultra-low temperature (~5 K), atomic jets, TPD mass spectrometry (Thermally Programmed Desorption) and laser spectroscopy using ultraviolet wavelengths around ~200 nm. Thanks to the REMPI-TOF (Resonantly Enhanced Multi-Photon Ionization – Time Of Flight) technique, we have studied i) the nuclear spin conversion of the hydrogen molecule H2 on a porous amorphous water ice surface and ii) the processes of formation of this molecule, which is the most abundant in the interstellar medium, on surfaces simulating interstellar dust grains. The results of this study are of capital interest in astrophysics. Actually, this formation cannot occur in the gas phase but can only be explained by the encounter of two hydrogen atoms on a dust grain in the interstellar medium, the latter playing the role of a catalyst. Different processes are involved in the formation of H2 which require to be identified. With this aim, I present entirely new results on molecular H2 formation on an amorphous silicate surface. I show that the molecule can form in a rovibrationnally excited state of its ground state up to a temperature of about 70 K and that the molecule is released into the gas phase immediately after its formation. These results demonstrate the competition between two mechanisms of formation at very low temperature (<18 K) while another mechanism takes over up to 70 K
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Boulanger, François. "Emission infrarouge du milieu interstellaire." Paris 6, 1987. http://www.theses.fr/1987PA066279.
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Une etude approfondie de l'emission ir du voisinage solaire montre comment les observations iras peuvent etre utilisees pour etudier la structure du milieu interstellaire local et permette une analyse microscopique de la question de l'origine de l'emission ir des galaxies. Presentation d'observations qui etablissent l'existence de petites particules dans l'ensemble du milieu interstellaire. Travaux observationnels sur le milieu interstellaire dans les galaxies proches m31 et ngc 6946. Etude de l'organisation a gande echelle du milieu interstellaire d'une galaxie spirale
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Valdivia, Valeska. "Impact of radiative transfer and chemistry on the formation of molecular clouds." Thesis, Paris 6, 2015. http://www.theses.fr/2015PA066709/document.
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Le milieu interstellaire (MIS) est un système extrêmement complexe. Il correspond à une échelle intermédiaire entre les étoiles et les galaxies. Le gaz interstellaire est présent dans toute la galaxie, remplissant l’espace entre les étoiles. Une grande diversité de processus couplés, comme la gravité, le champs magnétiques, la turbulence et la chimie, participe à son évolution, faisant de la modélisation du MIS un problème ardu. Une description correcte du MIS nécessite un bon traitement des équations de la magnetohydrodynamique (MHD), de la gravité, du bilan thermique et de l’évolution chimique à l’intérieur du nuage moléculaire.L’objectif de ce travail de thèse est une meilleure compréhension de la formation et de l’évolution des nuages moléculaires, et plus particulièrement de la transition du gaz atomique en gaz moléculaire. Nous avons réalisé des simulations numériques de la formation des nuages moléculaires et de la formation de l’hydrogène moléculaire sous l’influence de la gravité et de la turbulence MHD, en utilisant des estimations précises de l’écrantage par les poussières et de l’auto-écrantage par la molécule H2. Ceci a été calculé grâce à une méthode en arbre, à même de fournir une rapide estimation des densités de colonne.Nous avons trouvé que l’hydrogène moléculaire se forme plus rapidement que prévu par les estimations classiques du fait de l’augmentation de densité locale provoquée par les fluctuations turbulentes du gaz. L’hydrogène moléculaire, formé à des densités plus élevées, peut alors migrer vers les régions plus chaudes et moins denses.Les densités de colonne totale d’hydrogène moléculaire montrent que la transition HI-H2 se produit à des densités de colonne de quelques 10^20 cm−2. Nous avons calculé les populations des niveaux rotationnels de H2 à l’équilibre thermique et intégré le long de plusieurs lignes de visée. Ces résultats reproduisent bien les valeurs observées par Copernicus et FUSE, suggérant que la transition observée et les populations excitées pourraient être une conséquence de la structure multi-phasique des nuages moléculaires. Comme la formation de H2 précède la formation des autres molécules, le H2 chaud pourrait permettre le développement d’espèces endothermiques et éventuellement expliquer certains aspects de la richesse moléculaire observée dans l’ISMThe interstellar medium (ISM) is a highly complex system. It corresponds to an intermediate scale between stars and galaxies. The interstellar gas is present throughout the galaxy, filling the volume between stars. A wide variety of coupled processes, such as gravity, magnetic fields, turbulence and chemistry, participate in its evolution, making the modeling of the ISM a challenging problem. A correct description of the ISM requires a good treatment of the magnetohydrodynamics (MHD) equations, gravity, thermal balance, and chemical evolution within the molecular clouds.This thesis work aims at a better understanding of the formation and evolution of molecular clouds, specially how they become "molecular", paying particular attention to the transition HI-to-H2. We have performed ideal MHD simulations of the formation of molecular clouds and the formation of molecular hydrogen under the influence of gravity and turbulence, using accurate estimates for the shielding effects from dust and the self-shielding for H2, calculated with a Tree-based method, able to provide fast estimates of column densities.We find that H2 is formed faster than predicted by the usual estimates due to local density enhancements created by the gas turbulent motions. Molecular hydrogen, formed at higher densities, could then migrate toward low density warmer regions.Total H2 column densities show that the HI-to-H2 transition occurs at total column densities of a few 10^20 cm−2. We have calculated the populations of rotational levels of H2 at thermal equilibrium, and integrated along several lines of sight. These two results reproduce quite well the values observed by Copernicus and FUSE, suggesting that the observed transition and the excited populations could arise as a consequence of the multi-phase structure of molecular clouds. As H2 formation is prior to further molecule formation, warm H2 could possibly allow the development of a warm chemistry, and eventually explain some aspects of the molecular richness observed in the ISM
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Ouerfelli, Ghofrane. "Étude théorique de collisions d’intérêt interstellaire." Thesis, Bordeaux, 2016. http://www.theses.fr/2016BORD0224/document.
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Le satellite Herschel Space Observatory a permit de détecter la lumière dans l'infrarouge lointain, ce qui correspond aux fréquences auxquelles émettent les molécules légères lors de leurs transitions rotationnelles. ALMA, un interféromètre situé sur un plateau du désert chilien a pris le relais d'Herschel et va permettre de nouvelles observations des nuages moléculaires froids avec une bonne précision angulaire. ALMA observe dans la gamme du millimétrique et du sub-millimétrique ce qui le rend complémentaire du satellite Herschel (infra lointain). Ces avancées considérables concernant les interactions entre particules au niveau microscopique, permettant de produire et piéger des diatomiques dans des états internes bien précis, ouvrent de nouvelles perspectives dans le domaine de la physique des collisions et de la chimie théorique. L'observation des molécules interstellaires a bénéficié des avancées de la radioastronomie, permettant d'identifier les transitions rotationnelles et vibrationnelles des molécules. De plus, les informations spectroscopiques nous procurent des données importantes sur l’état du milieu interstellaire : ionisé ou neutre.Le cation méthylidène CH+ a été observé dans le milieu diffus par sa transition électronique X1Σ+ -A1Π.Il joue un rôle important dans les différentes étapes du réseau chimique complexe grâce à des processus et réactions moléculaires qui se produisent dans les régions interstellaires et circumstellaires. Donc CH+lance une vaste chaine chimique de processus qui peut évoluer vers la formation d'espèces plus complexes.La transition de structure fine de C+; est la plus forte raie en émission de la voie lactée. L’ion C+ est un traceur de la densité et de la température dans les nuages diffus et les régions dominées par les photons (PDR). La raie de C+ constitue un important outil pour sonder le contenu en gaz et les processus de formation des étoiles dans la Voie lactée et dans d'autres galaxies.Les collisions de C+ avec H2 peuvent mener à la formation de CH+. Cette réaction a été très étudiée théoriquement et expérimentalement, cependant, étant endothermique par 3211cm-1 et, pour les températures typiques du MIS et pour H2 dans son niveau fondamental, la réaction ne se produit pas. Le seul processus est alors le processus d'excitation de spin-orbite de C+.La relaxation spin orbite C+(2P1/2) + H2(v; j) = C+(2P3/2) + H2(v0; j0) qui a été tout d'abord étudiée dans cette thèse contribue au refroidissement du gaz constituant les nuages interstellaires.L'excitation vibrationnelle de H2 (v > 0), qui a lieu lors des collisions avec C+ possède une influence notable sur les abondances de CH+. CH+ est un ion très réactif, il se détruit à partir de la réaction d'abstraction de l'hydrogène qui a été prise en considération dans ce travail. Il est donc intéressant d'évaluer précisément l'efficacité réelle de ce chemin de destruction. Le dilemme est que cet ion est également abondamment trouvé dans le milieu neutre et froid.Ce travail de thèse a comporté des études de collisions inélastiques et réactive d'intérêt interstellaire.Nous avons utilisé les calculs ab initio hautement corrélés. De plus, la dynamique nucléaire des systèmes considérés a été étudiée à l'aide d'un formalisme quantique et indépendant du temps, basé sur les coordonnées hypersphériques : soit inélastique dans le cas de l’excitation spin-orbite de C+(2P) + ortho-H2, et para-H2 et l’excitation rotationnelle de (CD+) + He, ou réactif dans le cas de l’abstraction d’un hydrogène dans H + CH+.Notre soucis a été de donner une base compréhensible des mécanismes et de fournir une quantification des sections efficaces de relaxation spin-orbite et des taux de réaction permettant de remonter aux observations spectroscopiques. Les nouvelles constantes de vitesse que nous avons obtenues devraient aider à mieux interpréter les observations de l'émission de C+ obtenues par les télescopes actuels et futurs. (...)The Herschel Space Observatory satellite has permitted to detect light in the far infrared, corresponding to frequencies at which molecules emit light through rotational transitions. ALMA, an interferomete rlocated on the Chilean desert of Acatama took over Herschel and will allow new observations of cold molecular clouds with an accurate angular accuracy. ALMA observes in the range of millimeter andsub-millimeter which makes it complementary to the Satellite Herschel (far infrared). These significant advances in observing particle interactions at the microscopic level, to produce and trap diatomic molecules in specific internal states, open new perspectives in the field of collision physics and theoretical chemistry.Observation of interstellar molecules has benefited from advances in astronomy, to identify vibrational rotational ransitions of molecules. Furthermore, spectroscopic data provide us with important information on the state of the interstellar medium: ionized or neutral.The cation methylidene CH + was observed in the diffuse medium through its X1Σ + -A1Π electronictransition. It plays an important role in the different stages of the complex chemical behaviour through processes and molecular reactions that occur in interstellar and circumstellar regions. So CH+ launches large chain chemical processes that can progress to the formation of more complex species.The fine structure transition of C +; is the strongest emission line of the Milky Way. The C + ion is atracer of density and temperature in diffuse clouds and regions dominated by photons (PDR). The C +line is an important tool to probe the gas content and star formation processes in the Milky Way andother galaxies.C+ + H2 collisions can lead to the formation of CH +. This reaction has been extensively studied theoretically and experimentally, however, it is endothermic by 3211cm-1 and at the typical temperatures for MIS and H2 in its ground vibrational state, the reaction does not occur. The only process is then the C + spin-orbit excitation process.Spin orbit relaxation C + (2P1 / 2) + H 2 (v j) = C + (2P3 / 2) + H 2 (v0; j0) which was first studied inthis thesis contributes to the cooling of the gas constituting the interstellar clouds.The vibrational excitation of H2 (v> 0), which takes place during collisions with C + has a significant influence on the abundance of CH +. CH + is a highly reactive ion, it is destroyed by the abstractionreaction of hydrogen that has been considered in this work. It is therefore interesting to accurately assess the effectiveness of this path of destruction. The dilemma is that this ion is also abundantly found in the neutral and cold environment.This thesis focuses on the inelastic and reactive collisions studies of interstellar interest. We used ab initio highly correlated methods to tackle the electronic structure parts. Moreover, the nuclear dynamics of the systems was studied using a time independent quantum formalism, based on the Jacobi coordinates in the case of the spin-orbit excitation of C + (2P) + ortho H2, and para-H2 and rotational excitation of (+ CD) + He, or the hyper spherical coordinates for the reactive process in the case of the abstraction of a hydrogen in H + CH +.Our concern was to give a comprehensive basis of the mechanisms and provide a quantification of the effective spin-orbit relaxation cross sections and reaction rates to confront with spectroscopic observations. The new rate constants we obtained should help to better interpret the observations of C+ radiation emissions obtained by current and future telescopes
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Lee, Ho-Hsin. "Gas-phase chemical models of interstellar molecular clouds /." The Ohio State University, 1997. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487948440824473.
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Narayanan, Desika T. "The Molecular Interstellar Medium from z=0-6." Diss., The University of Arizona, 2007. http://hdl.handle.net/10150/194171.
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I investigate the emission properties of the molecular interstellar medium in protoplanetary disks and galaxy mergers, though focus largely on the latter topic. I utilize both numerical models as well as observations to relate the emission characteristics to physical models for the formation and evolution of gas giant planets and galaxies. The main results of this thesis follow. (1) Gas giant protoplanets may be detectable via self-absorption signatures in molecular emission lines with sufficiently high critical density. Given the spatial resolution of e.g. ALMA, gas giant planets in formation may be directly imageable. (2) Starburst and AGN feedback-driven winds in galaxies can leave imprints on the molecular line emission properties via morphological outflows and high velocity peaks in the emission line spectra. Methods for distinguishing between high velocity peaks driven by dynamics versus those driven by winds are discussed. (3) CO line widths on average trace the virial velocity of z ∼ 6 quasar host halos. Thus, if the earliest quasars formed in ∼1013 M ⊙ halos, they are predicted to have broad molecular line widths. Selection effects may exist which tend quasars selected for optical luminosity toward molecular line widths narrower than the slightline-dependent mean. (4) Using the SMT, I observe a roughly linear relation between infrared luminosity and CO (J=3-2) luminosity in local galaxies confirming the results of recently observed L(IR)-HCN (J=1-0) relations. Subsequent modeling shows that observed SFR-molecular line luminosity relations owe to the average fraction of subthermally excited gas in galaxies, and are simply reflective of the assumed Schmidt law governing the SFR.
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Le, Bourlot Jacques. "Calcul de probabilites de transition d'intercombinaison entre les etats x **(1)sigma ::(g)**(+) et a **(3)pi ::(v) de c::(2) carbone moleculaire : application a l'equilibre de c::(2) dans les nuages interstellaires diffus." Paris 7, 1987. http://www.theses.fr/1987PA077128.
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Boichat, Paul. "Spectroscopic studies of stellar, circumstellar, interstellar and cometary media." Thesis, University of Nottingham, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.364672.
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Beletsky, Yuri. "Extragalactic molecular clouds and chemistry of diffuse interstellar clouds." Diss., lmu, 2009. http://nbn-resolving.de/urn:nbn:de:bvb:19-105670.
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