Tesis sobre el tema "Iode – Chimie"
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SPASSOVA, NADEJDA. "Etude d'une nouvelle methode radicalaire pour la desoxygenation des alcools. Nouvelles approches radicalaires : synthese de -aminotetralones et reduction de derives iodes". Palaiseau, Ecole polytechnique, 2000. http://www.theses.fr/2000EPXX0053.
Texto completoBadie, Jérôme. "Réduction de l'iodure d'argent en solution aqueuse : application à la séparation poussée de l'iode lors du traitement des combustibles nucléaires usés". Aix-Marseille 3, 2002. http://www.theses.fr/2002AIX30005.
Texto completoSilver iodide is a key-compound in nuclear chemistry either in accidental conditions or during the reprocessing of spent nuclear fuel. In french reprocessing plants, iodine is trapped in the dissolver off-gas treatment unit by scrubbing with a caustic soda solution and by chemisorption on mineral porous traps impregnated with silver nitrate, leading to the production of silver iodide and silver iodate. Enhanced separation policy would make necessary to recover iodine from the filters by silver iodide dissolution during a reducing treatment. For this purpose, ascorbic acid and hydroxylamine were used
Ozanne-Beaudenon, Aurélie. "Synthèses et applications de réactifs organiques iodés hypervalents utiles en chimie médicinale". Bordeaux 1, 2005. http://www.theses.fr/2005BOR13051.
Texto completoMoutounet, Odile. "La chimie computationnelle appliquée à l'étude de la réactivité et de la sélectivité de mécanismes réactionnels en chimie organique". Thèse, Université de Sherbrooke, 2018. http://hdl.handle.net/11143/11770.
Texto completoEz-Zoubir, Mehdi. "Développement de réactions catalytiques pour la formation de liaisons Carbone-Carbone et Carbone-Iode en présence de complexes d'iridium". Paris 6, 2011. http://www.theses.fr/2011PA066021.
Texto completoGouello, Mélany. "Chimie de l'iode et composition des aérosols dans le circuit primaire d'un réacteur nucléaire en situation d'accident grave". Phd thesis, Université de Grenoble, 2012. http://tel.archives-ouvertes.fr/tel-00832204.
Texto completoVergé, Christophe. "Télomérisation des iodures de perfluoroalkyle avec le tétrafluoroéthylène". Montpellier 2, 1990. http://www.theses.fr/1990MON20201.
Texto completoAubert, Florence. "Destruction par le rayonnement gamma de l'iodure de méthyle en faible concentration dans l'air humide". Aix-Marseille 3, 2002. http://www.theses.fr/2002AIX30018.
Texto completoThis work aims at modelling the processes involved in gamma-radiolysis of methyl iodide diluted in air in presence of steam. It is to determine quantitative and qualitative information to quantify the importance of the organic iodides destruction in case of a nuclear reactor accident. The main data for radiochemistry and iodine compounds (IxOy and INOx) formation were reviewed and analysed. Literature data about air products radiolysis reactivity towards I2 and CH3I were used to develop a mechanistic model for methyl iodide destruction in the gas phase under gamma irradiation. An ab initio study was realised for a better understanding of atomic nitrogen (4S and 2D) reactivity towards CH3I. The model was tested on the available experimental data and constitute a way to investigate the main processus involved in methyl iodide destruction. For the low CH3I concentrations, about 10-7 - 10-8 mol. Dm-3, N and e- are mainly responsible for the destruction. I2O4 (highest iodine oxyde in the model) and IONO2 are the main resulting iodinated compounds
Fortin, Camille. "Etudes par simulations numériques et moléculaires de la réactivité atmosphérique de l'iode". Thesis, Lille 1, 2019. http://www.theses.fr/2019LIL1R053.
Texto completoDuring a severe accident occurring to a pressurized nuclear water reactor, radiological consequences are related to the transport and deposition of radionuclides released into the environment. Following the Fukushima Daiichi accident, significant differences between measurements and simulations were observed for iodine deposition. It could notably be explained by the absence of any iodine chemistry in the IRSN dispersion codes. To address this, a mechanism of atmospheric iodine chemistry involving 257 reactions was developed from a critical review of the literature. In parallel, missing thermokinetic data were determined by molecular-scale simulations for the X + H2O2 (X = Br, I) and OH + CH2IOH reactions. 0D and 3D simulations were performed using ASTEC and Polair3D after an injection of either I2 or CH3I. The results showed a partial and rapid transformation of these iodinated gaseous compounds. The influence of several parameters (air quality, quantity and nature of iodine released) on iodine speciation was evaluated. For all simulations, iodine is quickly found in the form of iodine oxides and nitroxides or gaseous iodocarbon compounds. The latter may be the cause of iodinated aerosols formation and deposition
Brenet, Simon. "Nouvelle structure BINOL-Maléimide. Applications en catalyse d'oxydation asymétrique". Thesis, Grenoble, 2013. http://www.theses.fr/2013GRENV050/document.
Texto completoCatalysed asymmetric reactions are an elegant approach towards the synthesis of complex molecules for the controlled introduction of stereocenters. Within this field, oxidations are noteworthy since they allow to create in one step both the stereogenic elements and the moieties whose reactivities are the cornerstone of the methodologies of synthesis. The selectivity of a catalyst is most often controlled by its own structure. Our group has investigated catalysed asymmetric aerobic oxidations by C-H activation through the use of chiral analogues of N-hydroxyphtalimide (NHPI). We have developed a new structure of catalyst based upon a BINOL-fused maleimide core to circumvent the inherent limitations of previous catalysts generations. The first series showed no enantioselectivity and led us to synthesize a second series whose features are expected to improve the overall efficiency of those catalysts for asymmetric aerobic oxidations. The development of an analogue bearing two iodine moieties prompted us to study this structure as a core for chiral hypervalent organo-iodine(lll) catalysts. We have investigated three series of such catalysts for the asymmetric α-oxytosylation of prochiral ketones and showed that our structure is comparable with the ones found in the literature
Trincal, Julien. "Modélisation du comportement de l’iode dans l’atmosphère". Thesis, Lille 1, 2015. http://www.theses.fr/2015LIL10121/document.
Texto completoDuring a severe accident occuring to a nuclear facility, the radiological consequences are related to the transport and deposition of radionuclides released into the environment. Following the Fukushima accident, significant differences between measurements and simulations were observed for iodine. These could notably be explained by the absence of any iodine chemistry during the transport in the dispersion codes used. To investigate this hypothesis, a reactional mechanism of iodine in the atmosphere has been developed from a critical review of the literature data and 0D and 3D simulations has been performed using the ASTEC and Polair3D simulation tools.The results obtained showed a partial and fast transformation of the released gaseous iodine (I2 and CH3I). The influence of parameters on the iodine speciation such as the pollutant conditions (O3, NOx, COV), photolysis and the amount of iodine is discussed.Iodine turns quickly into oxide forms (IxOy, INOx) and iodocarbons. Significant improvements regarding the reactional mechanism (determination of fundamental data, coupling chemistry-aerosol) remain to be done before coming up with a firm conclusion on the radioactive iodine species present in the atmosphere
Domain, Christophe. "Simulations atomiques ab initio des effets de l'hydrogène et de l'iode dans le zirconium". Lille 1, 2002. https://pepite-depot.univ-lille.fr/RESTREINT/Th_Num/2002/50376-2002-31.pdf.
Texto completoHoujeij, Hanaa. "Etude expérimentale des réactions de capture/désorption des iodes gazeux (I2, CH3I) sur des aérosols environnementaux". Thesis, Bordeaux, 2020. http://www.theses.fr/2020BORD0172.
Texto completoGaseous iodine I131 mainly under I2 or CH3I forms, when released into the atmosphere during a severe nuclear power plant accident may affect both human health and environment. The atmospheric dispersion models of iodine do not take into account the potential reactivity of iodine with atmospheric gas or particles species. However, the modification of the chemical speciation and/or the physical form of iodine compounds is not without consequences on the transport of iodine in the atmosphere and its health effects. Within the framework of improving the atmospheric dispersion tools of radioactive iodine, this work aims to contribute to the actual state of knowledge of atmospheric iodine chemistry by experimental approaches focusing on understanding the CH3I-aerosols and CH3I-water interaction processes.The interaction between CH3I and water at the molecular scale has been investigated using cryogenic matrix experiments supported by theoretical DFT calculations. A large excess of water regarding CH3I was used in order to mimic atmospheric conditions. Dimers and trimers of CH3I are observed despite the high water amount in the initial mixture together with mixed aggregates between CH3I and water polymers. This may be explained by the low affinity of CH3I with water. This result highlights that, in the atmosphere, gaseous CH3I and H2O will likely form aggregates of water and CH3I polymers instead of (CH3I)m-(H2O)n hetero complexes. Further, the interaction between CH3I and amorphous ice as a model of atmospheric ice have been preliminary investigated. The adsorption of CH3I on amorphous has been observed but with a complete desorption of CH3I above 47 K.Experimental study of interaction processes between gaseous iodine (CH3I) and both dry and wet NaCl as surrogate of sea salt aerosols has been carried out using Diffuse Reflectance Infrared Fourier Transformed Spectroscopy (DRIFTS). The DRIFTS spectra of NaCl surface clearly evidenced adsorbed CH3I on the NaCl surface particles. The FTIR spectra revealed new absorption bands that have been not clearly attributed. The adsorption process of CH3I on NaCl is likely a chemisorption since no desorption was observed. We have demonstrated that the adsorption of CH3I on NaCl did not reach saturation even after 5 hours of continuous flow of CH3I. CH3I capture at the NaCl surface presents a 1st order kinetics relative to its gas phase concentration. The uptake coefficients were determined to be in the order of 3 × 10-11, with a global adsorption energy of about -39 kJ.mol− 1. These results show a low probability of CH3I molecules to be captured by NaCl surface. The presence of water on the surface of NaCl seems to have no effect on the interaction between CH3I and NaCl, which is consistent with the low affinity of CH3I for water.The interactions of CH3I with various inorganic and organic powdered solids as models for atmospheric aerosols have been investigated using static reactor coupled with gas chromatography (GC) allowing the monitoring of the gas phase. We have highlighted a weak interaction between CH3I and inorganic and organic aerosols indicating a low affinity of CH3I whatever the aerosol surface composition. We hypothesis that the water content at the aerosol surface is a key parameter. So that, when released in the atmosphere, CH3I will interact very little with the surface of the aerosols and will stay in the gaseous phase. However, although in low content, a part of CH3I is irreversibly adsorbed on the surface of the halide salts that could be considered in the atmospheric iodine model to estimate potential impact
Bignan, Gilles. "Synthèse d'analogues iodés du D-glucose". Grenoble 1, 1993. http://www.theses.fr/1993GRE10206.
Texto completoGrand, Julien. "Développement de nouveaux composés à l'iode hypervalent et leurs utilisations dans des réacions d'oxydation organocatalysées". Caen, 2013. http://www.theses.fr/2013CAEN2061.
Texto completoReadily available hypervalent iodine compounds are considered as safe and environmentally friendly reagents for oxidative transformations. Since their discovery, more and more reagents and/or procedures have been developed and optimized affording efficient and economic hypervalent iodine chemistry protocols. Noticing those challenging research areas, this PhD work was orientated to encompass three actual topics of hypervalent iodine chemistry: (i) Straightforward synthesis of substituted dibenzofurans and novel fluorinated iododiarylethers were developped starting from substituted diaryliodolium salts (the cyclic variants of diaryliodonium salts). (ii) Various iodine containing cycloadducts were synthesized from the building block methyl 3-iodopropiolate and then evaluated as oxidative organocatalysts in oxidative transformations. (iii) The development of recyclable hypervalent iodine organo-catalysts was carried out by fixing iodine on nanometer-sized magnetically separable particles. These recyclable iodine containing nanoparticles were successfully evaluated as oxidative organocatalysts in oxidative transformations
Soulard, Marine. "Approche synthétique vers la synthèse totale de l'epicocconone, étude de la réaction de désaromatisation oxydante à l'aide d'iode hypervalent (III) ou (V)". Phd thesis, INSA de Rouen, 2014. http://tel.archives-ouvertes.fr/tel-01020477.
Texto completoCartonnet, Adrien. "Contribution à l’étude du rejet à l’environnement de l’iode radioactif lors d’une séquence accidentelle de type RTGV". Thesis, Lille 1, 2013. http://www.theses.fr/2013LIL10123/document.
Texto completoIn a Steam Generator Tube Rupture (SGTR) accident occurring to a pressurised nuclear water reactor, a fraction of the radioactive species present in the primary circuit is likely to be transferred to the environment. Particular attention is paid to iodine for two reasons; the first one it is well known that iodine is a high contributor to the dose at short term and in second, due to possible formation of volatile species, which could be largely sprayed in the environment. In normal operating conditions, the primary circuit is contaminated with some radioactive products flowing through micro-cracks existing in the fuel rod claddings. To better estimate the releases for SGTR sequence, it is crucial to determine the iodine partition between the gas and the liquid phase downstream the tube break as well as the droplet size distribution generated during the flashing. The first part of the PhD presents a heat and mass transfer model developed to predict the two-phase jet behaviour at the break. The steam fraction is calculated as well as the droplet size distribution upstream the break. Experiments available in the literature (tests conducted at the U.S/NRC and INERIS) are used to validate the model. The second part concerns the modelling of the iodine chemical speciation in the primary conditions (irradiation, low concentration and presence of impurities). For each iodine species, the partition coefficient has been determined either in using literature data or with the help of molecular dynamics computations. Last, this global release modelling has been implemented in ASTEC, the IRSN accident simulation software and the releases have been calculated for one SGTR scenario
Lacoue-Nègre, Marion. "Chimie de l’iode dans le circuit primaire d’un réacteur nucléaire en situation d’accident grave : étude de mélanges CsI/MoO3 sous vapeur d’eau". Thesis, Lille 1, 2010. http://www.theses.fr/2010LIL10163/document.
Texto completoIodine and cesium radio nuclides constitute important fission products (FP) of 235U. If the volatile forms (gas, aerosol) of FP would be released into the environment during a hypothetical severe accident of pressurized water reactor (PWR), a potential health hazard would be the ensue. Understanding their behaviors is an important prerequisite for planning appropriate mitigation measures. Severe reactor accident simulations are conducted in several tests of the international PHEBUS-FP program. The suspected connection existing between FP such as Cs, Mo and I, hydrothermal chemistry and its role on the iodine speciation in the primary circuit of reactor coolant system are highlighted. An experimental setup was developed to study the chemical behavior of CsI/MoO3 mixtures at 1600°C under steam and then during the steam cooling to 150 °C. These hydrothermal conditions are representative of the primary circuit of PWR. The analyses using ICP-MS, powder XRD, MEBE-EDX and Raman microspectrometry identify submicrometric aerosol particles as CsI, MoO3.xH2O and Cs2MonO3n+1 (n=1, 2, 3, 5, 7) according to the starting CsI/MoO3 ratio. The formation of Cs2MonO3n+1 induces the generation of gaseous iodine. This later result is in agreement with PHEBUS-FP experiments. The simulations of vapor phase chemistry and aerosol phenomena of the {I, Cs, Mo, O, H} system in the experimental setup were carried out using the SOPHAEROS code based on the thermodynamic chemical equilibriums. Some discrepancies were observed between experimental and simulated results, particularly for Mo rich particles and the volatile iodine species release
Badin, Sylvain. "Etude théorique de la chimie de l'iode pour la propulsion électrique". Electronic Thesis or Diss., Université de Lille (2022-....), 2024. https://pepite-depot.univ-lille.fr/ToutIDP/EDSMRE/2024/2024ULILR035.pdf.
Texto completoSpacecraft electric propulsion provides a low thrust for a long period of time, which is particularly useful for interplanetary missions or for trajectory correction maneuvers for satellites. Recently, a new type of electric thruster was developed using iodine as a propellant. An iodine plasma is formed and an electric field expels the ions from the reactor, thus creating a thrust. The iodine has the advantage over other types of propellant (like Xenon) of being easy to store in a solid form and to be cheaper.The improvement of iodine propulsion is hampered by the lack of knowledge about the chemistry of iodine plasma. In this work, the aim is to calculate the cross sections of some of the chemical reactions taking place in iodine plasma for use in kinetic models describing these plasmas. The mutual neutralization reactions between I+ and I− on the one hand, and I+2 and I− on the other, were studied. To do this, the potential energy curves of the systems I2 , I+2 and I2− were calculated using a relativistic quantum chemical method (four-component MRCI) and the three-dimensional fundamental potential energy surface of I3 was computed using a quantum chemical method including scalar relativity and spin-orbit coupling (CASSCF/PT2/SI). The cross sections of the reaction I+ + I− → I + I were then obtained using a semi-classical dynamics method: the Landau Zener Surface Hopping method, and were compared with experimental measurements carried out at the DESIREE double ion ring in Stockholm.Further experiments at DESIREE showed that the mutual neutralization reaction between I2+ and I− formed three iodine atoms in their ground state and in a linear geometry, while the formation of I2 + I was not observed. A classical dynamics model was constructed based on the fundamental potential energy surface of I3 and was used to estimate the order of magnitude of the effective cross sections of this reaction. However, this model does not predict the distribution of products between I2 + I and I + I + I.In addition, the absorption spectra of I2 and its ions I+2 and I2− were computed between 350 and 900 nm from their potential energy curves
Fortin, Camille. "Etudes par simulations numériques et moléculaires de la réactivité atmosphérique de l'iode". Electronic Thesis or Diss., Université de Lille (2018-2021), 2019. http://www.theses.fr/2019LILUR053.
Texto completoDuring a severe accident occurring to a pressurized nuclear water reactor, radiological consequences are related to the transport and deposition of radionuclides released into the environment. Following the Fukushima Daiichi accident, significant differences between measurements and simulations were observed for iodine deposition. It could notably be explained by the absence of any iodine chemistry in the IRSN dispersion codes. To address this, a mechanism of atmospheric iodine chemistry involving 257 reactions was developed from a critical review of the literature. In parallel, missing thermokinetic data were determined by molecular-scale simulations for the X + H2O2 (X = Br, I) and OH + CH2IOH reactions. 0D and 3D simulations were performed using ASTEC and Polair3D after an injection of either I2 or CH3I. The results showed a partial and rapid transformation of these iodinated gaseous compounds. The influence of several parameters (air quality, quantity and nature of iodine released) on iodine speciation was evaluated. For all simulations, iodine is quickly found in the form of iodine oxides and nitroxides or gaseous iodocarbon compounds. The latter may be the cause of iodinated aerosols formation and deposition
Peilleron, Laure. "Nouvelle approche synthétique vers des analogues de l'avibactam et cyclisations de N-alkoxyurées insaturées initiées par des réactifs d’iode(III) hypervalent". Thesis, Université Paris-Saclay (ComUE), 2019. http://www.theses.fr/2019SACLS408/document.
Texto completoThe current dire situation of antimicrobial resistances urges synthetic chemists to design new molecules that can fight these resistances. Hence, the diazabicyclo-octanes β-lactamase inhibitors are of particular interest, as they can preserve the current therapeutic arsenal by restoring the activity of β-lactam antibiotics. Thus, avibactam was very recently approved by the FDA and the EMA in combination with ceftazidime (a 3rd generation cephalosporin antibiotic) for the treatment of severe Gram-negative bacteria infections. Structurally, these compounds are characterized by a bicyclic framework featuring a cyclic N-hydroxylated urea motif that is key to its activity. Yet, only few methods exist to easily access this singular type of saturated heterocycles. The aim of this project was to develop a new synthetic approach to acces a new range of avibactam analogues. For this, we developed chemoselective iodine(III)-mediated cyclizations of unsaturated N-alkoxyureas. We were able to optimize and study three different cyclizations that proceed through distinct mechanisms to yield oxazolidinone oximes, or N-oxyimidazolidinones from the same substrates. The different modes of cyclization can be triggered using a combination of the iodine(III) and a halide salt or TEMPO, under reaction conditions which are operationally simple and easily tunable. In parallel, we also devised asymmetric synthesis of a key monocyclic intermediate which should yield avibactam analogues, through a new synthetic route that relies on the methodology we developed
Dumoulin, Audrey. "Synthèse asymétrique de 1,2-diamines et développement de nouveaux organoiodanes chiraux pour des réactions d'oxygénation". Thesis, Université Paris-Saclay (ComUE), 2016. http://www.theses.fr/2016SACLS364.
Texto completoThe 1,2- diamines can be found in many biologically active compounds, which pushed organic chemists to develop new methodologies to synthesize those molecules. In this context, the stereochemistry is essential because the biological activity ensues. Thus, we were interested in developing an enantioselective amination of enamide derivatives catalyzed by chiral phosphoric acids. These catalysts interact with substrates via hydrogen bonds to activate a nucleophile and an electrophile simultaneously. Our strategy proved to be very effective and allowed us to synthesize a wide range of 1,2- diamine. Many compounds of biological interest, including heterocycles used in pharmaceutical and cosmetic industry, were tolerated with this process. In another project, we looked at the design of chiral hypervalent iodine compounds. These compounds have recently gained considerable attention because of their stability to air and moisture, their low toxicity and their interesting reactivity. However, despite considerable development, the use of hypervalent iodine derivatives in catalytic asymmetric reactions deserves to be further studied. In this context, new pre-catalysts were developed in our laboratory and used in enantioselective oxygenation reactions. The special structure of these compounds yielded the best enantiomeric excesses of the literature to date
Jadon, Ankita. "Interactions between sodium carbonate aerosols and iodine fission-products". Electronic Thesis or Diss., Université de Lille (2018-2021), 2018. http://www.theses.fr/2018LILUR021.
Texto completoThe safety analysis of Generation IV sodium-cooled fast neutron reactors requires the study of the consequences of a severe accident in case of release into the environment of sodium and the radionuclides it carries (term chemical and radiological source). The global source term therefore depends on both the chemical speciation of sodium aerosols, resulting from the combustion of sodium in the containment, and their interactions with radionuclides. During this thesis, the interactions between sodium carbonate and iodinated gaseous fission products (I2 and HI) were studied at the atomic and macroscopic scales, via a combined theoretical and experimental approach. An analytical expression of the adsorption isotherm has been developed. The relative stability of the sodium carbonate surfaces was determined by ab initio calculations using density functional theory. The reactivity of iodine has been studied for the most stable surfaces and the adsorption isotherms evaluated. In parallel, the kinetics of capture of molecular iodine by sodium carbonate has been determined experimentally for different boundary conditions.The results show an effective capture of the molecular iodine by sodium carbonate at 373 K, varying according to the partial pressure of iodine and the surface of the carbonate sorbent. For the representative conditions of a severe accident, the adsorption sites of the most favorable sodium carbonate surfaces will be mostly bare or doubly occupied depending on the partial pressure of molecular iodine; leading to an equilibrium pressure of less than 2x10-4 bar at 373 K
Cartonnet, Adrien. "Contribution à l’étude du rejet à l’environnement de l’iode radioactif lors d’une séquence accidentelle de type RTGV". Electronic Thesis or Diss., Lille 1, 2013. http://www.theses.fr/2013LIL10123.
Texto completoIn a Steam Generator Tube Rupture (SGTR) accident occurring to a pressurised nuclear water reactor, a fraction of the radioactive species present in the primary circuit is likely to be transferred to the environment. Particular attention is paid to iodine for two reasons; the first one it is well known that iodine is a high contributor to the dose at short term and in second, due to possible formation of volatile species, which could be largely sprayed in the environment. In normal operating conditions, the primary circuit is contaminated with some radioactive products flowing through micro-cracks existing in the fuel rod claddings. To better estimate the releases for SGTR sequence, it is crucial to determine the iodine partition between the gas and the liquid phase downstream the tube break as well as the droplet size distribution generated during the flashing. The first part of the PhD presents a heat and mass transfer model developed to predict the two-phase jet behaviour at the break. The steam fraction is calculated as well as the droplet size distribution upstream the break. Experiments available in the literature (tests conducted at the U.S/NRC and INERIS) are used to validate the model. The second part concerns the modelling of the iodine chemical speciation in the primary conditions (irradiation, low concentration and presence of impurities). For each iodine species, the partition coefficient has been determined either in using literature data or with the help of molecular dynamics computations. Last, this global release modelling has been implemented in ASTEC, the IRSN accident simulation software and the releases have been calculated for one SGTR scenario
Aubineau, Thomas. "Synthèse d'hétérocycles azotés : tétrahydropyrazines et morpholines". Thesis, Sorbonne université, 2018. http://www.theses.fr/2018SORUS144/document.
Texto completoTetrahydropyrazines and morpholines are six-membered heterocycles including two heteroatoms in positions 1 and 4. The objectives of this thesis were to develop new methods for their synthesis. Orthogonnaly protected tetrahydropyrazines were thus synthesized from the corresponding diamines, thank to the use of trimethylsilyl-benziodoxolone (TMS-EBX) as an alkyne donnor. This hypervalent iodine derivative was also found to be an efficient and chemoselective alkynylating agent of sulfonamides versus carbamates. A different synthetic approach was used for the synthesis of morpholines. Relying on previous results obtained in the laboratory, an iron(III)-catalyzed heterocylization was developped. In the presence of a catalytic amount of FeCl3.6H2O, 2,6- and 3,5-disubstituted morpholines were obtained with good yields and diastereoselectivities in favor of the cis compounds. To improve this method and make it more environnementally friendly, a one-pot method was next designed, leading, with a sequential Pd(0)/Fe(III)-catalyzed process, to a diversity of morpholines from readily available vinyloxiranes and amino-alcohols. A simple switch in the starting materials gives diverse morpholines without any change in the reaction conditions. The cis-compound predominance was rationnalized from the putative stabilities of different diastereoisomeres and a hypothetical mechanism is proposed
Inard, Daniel. "Analyse rotationnelle haute résolution de trois états électroniques de l'iode moléculaire et caractérisation d'un état métastable de l'ozone". Lyon 1, 1997. http://www.theses.fr/1997LYO10174.
Texto completoJadon, Ankita. "Interactions between sodium carbonate aerosols and iodine fission-products". Thesis, Lille 1, 2018. http://www.theses.fr/2018LIL1R021/document.
Texto completoThe safety analysis of Generation IV sodium-cooled fast neutron reactors requires the study of the consequences of a severe accident in case of release into the environment of sodium and the radionuclides it carries (term chemical and radiological source). The global source term therefore depends on both the chemical speciation of sodium aerosols, resulting from the combustion of sodium in the containment, and their interactions with radionuclides. During this thesis, the interactions between sodium carbonate and iodinated gaseous fission products (I2 and HI) were studied at the atomic and macroscopic scales, via a combined theoretical and experimental approach. An analytical expression of the adsorption isotherm has been developed. The relative stability of the sodium carbonate surfaces was determined by ab initio calculations using density functional theory. The reactivity of iodine has been studied for the most stable surfaces and the adsorption isotherms evaluated. In parallel, the kinetics of capture of molecular iodine by sodium carbonate has been determined experimentally for different boundary conditions.The results show an effective capture of the molecular iodine by sodium carbonate at 373 K, varying according to the partial pressure of iodine and the surface of the carbonate sorbent. For the representative conditions of a severe accident, the adsorption sites of the most favorable sodium carbonate surfaces will be mostly bare or doubly occupied depending on the partial pressure of molecular iodine; leading to an equilibrium pressure of less than 2x10-4 bar at 373 K
Lefèvre, Grégory. "Mécanismes de sorption des ions iodure sur les oxydes et les sulfures de cuivre divisés : perspectives environnementales". Nancy 1, 1999. http://www.theses.fr/1999NAN10257.
Texto completoGelis, Coralie. "Développement de réactions énantiosélectives organocatalysées pour la synthèse de molécules cycliques énantioenrichies". Thesis, Université Paris-Saclay (ComUE), 2018. http://www.theses.fr/2018SACLS430.
Texto completoThe development of new enantioselective methodologies is essential for the synthesis of bioactive compounds. In this context, we were interested in using organocatalysts for the synthesis of enantioenriched cyclic molecules. In a first part will be describe chiral phosphoric acid catalyzed (3+2), (4+2) and (4+3) formal cycloadditions using enecarbamate or dienecarbamate. These catalysts are bifunctional and can interact with both cycloaddition partners leading to the synthesis of 2,3-dihydrobenzofuranes, carboannulated benzoquinones, cyclohepta[b]indoles and tetrahydroquinolines with high stereocontrol. In a second phase, we were interested in using chiral hypervalent iodine as organocatalyst. Theses compounds present interesting reactivity while being stable and not very toxic. Their use permits us to develop a lactonisation starting from flexible substrate and led to the synthesis of various heterocycles with good results
Vandeputte, Romain. "Le rôle du bore sur la spéciation de l’iode dans le circuit primaire". Electronic Thesis or Diss., Lille 1, 2013. http://www.theses.fr/2013LIL10154.
Texto completoAs part of a major nuclear accident, the products resulting from the degradation of the control rods are likely to influence the transport of iodine in the Reactor Coolant System (RCS) of a pressurized water reactor as evidenced by the results of the Phebus-FP program. Three experimental Phebus-FP tests (FPT0, FPT1, and FPT2) were performed with Silver-Indium-Cadmium (AIC) control rods whereas in FPT3 test, the control rod is boron carbide (B4C). For FPT3, a much larger fraction of gaseous iodine was observed at the RCS break. It is suspected that the CsI (caesium iodide) formation has been restricted due to CsxByOz (especially caesium metaborate CsBO2) formation. The PhD results allow us to consolidate thermochemical data on cesium borates, which are poorly known in the literature, and to get first kinetic data for reactions leading to the formation of CsBO2 (CsI + H3BO3 CsBO2 + HI + H2O and CsOH + H3BO3 CsBO2 + 2 H2O). In order to estimate these thermokinetic parameters, theoretical chemistry tools were used, with the help of statistical thermodynamics and appropriate kinetic theories ; a special care was dedicated to the validation of the applied methodologies. All data have been implemented in the severe accident simulation software ASTEC (Accident Source Term Evaluation Code) and allow us reconciling the simulation results with experimental data concerning gaseous iodine at the break for FPT3 test
Fakhouri, Bakri. "Paramètres définissant l'absorption de l'eau dans le bois : stockage des cristaux d'iode dans le bois et sa libération contrôlée dans l'eau". Saint-Etienne, 1993. http://www.theses.fr/1993STET4008.
Texto completoMarchal, Lucas. "Synthèse de nouveaux candidats médicamenteux présentant une chiralité axiale C-N par le développement de nouveaux couplages C-N atroposélectifs". Electronic Thesis or Diss., Strasbourg, 2024. http://www.theses.fr/2024STRAF029.
Texto completoC–N axially chiral compounds have demonstrated significant potential across various fields, especially in the pharmaceutical industry. However, there are currently only few known methodologies to access these compounds, which are generally restricted to very specific molecular scaffolds. In order to prepare new C–N atropisomers of interest, innovative synthetic methodologies must be develop. To this purpose, we focused our efforts of the use of diaryliodonium salts as highly reactive coupling partners which allowed us to design a new copper-catalyzed atropo-enantioselective C–N coupling to afford enantio-enriched N-aryl benzoxazolones. The potential bioactive applications of such molecules has been studied and mechanistic studies were carried out to design a catalytic cycle for coupling. Such in-depth investigations were possible thanks to a fruitful interdisciplinary collaboration. The development of new methodologies was further extended through the first photoinduced atropo-enantioselective C–N coupling
Vandeputte, Romain. "Le rôle du bore sur la spéciation de l’iode dans le circuit primaire". Thesis, Lille 1, 2013. http://www.theses.fr/2013LIL10154/document.
Texto completoAs part of a major nuclear accident, the products resulting from the degradation of the control rods are likely to influence the transport of iodine in the Reactor Coolant System (RCS) of a pressurized water reactor as evidenced by the results of the Phebus-FP program. Three experimental Phebus-FP tests (FPT0, FPT1, and FPT2) were performed with Silver-Indium-Cadmium (AIC) control rods whereas in FPT3 test, the control rod is boron carbide (B4C). For FPT3, a much larger fraction of gaseous iodine was observed at the RCS break. It is suspected that the CsI (caesium iodide) formation has been restricted due to CsxByOz (especially caesium metaborate CsBO2) formation. The PhD results allow us to consolidate thermochemical data on cesium borates, which are poorly known in the literature, and to get first kinetic data for reactions leading to the formation of CsBO2 (CsI + H3BO3 CsBO2 + HI + H2O and CsOH + H3BO3 CsBO2 + 2 H2O). In order to estimate these thermokinetic parameters, theoretical chemistry tools were used, with the help of statistical thermodynamics and appropriate kinetic theories ; a special care was dedicated to the validation of the applied methodologies. All data have been implemented in the severe accident simulation software ASTEC (Accident Source Term Evaluation Code) and allow us reconciling the simulation results with experimental data concerning gaseous iodine at the break for FPT3 test
Lacotte, Pierre. "Synthèse et évaluation d'inhibiteurs du transport de l'iode dans la thyroïde". Phd thesis, Université Paris Sud - Paris XI, 2012. http://tel.archives-ouvertes.fr/tel-00923159.
Texto completoLafosse, Marine. "Conception et synthèse de nouveaux Bambusurils pour des applications en biologie et en imagerie moléculaire". Thesis, Université Paris-Saclay (ComUE), 2019. http://www.theses.fr/2019SACLS347.
Texto completoDesign and synthesis of new Bambusurils for biological applications and molecular imagingBambus[n]urils, R₈BU[4] and R₁₂BU[6], are synthetic cyclic macromolecules that belong to the cucurbit[n]urils families. They are composed of n-substituted glycoluril units connected via n-methylene bridges. The R₁₂BU[6], are able to bind anion inside their cavity with a good association constant through hydrogen bonds.In our laboratory, bambusurils bearing allyl functions, named Allyl₈BU[4] and Allyl₁₂BU[6], were efficiently prepared. These bambusurils were functionalized by ring-closing metathesis or thiol-ene click coupling to introduce 1 to 12 functions like ester, acids and glycosides.To develop the family of bambusurils, new bambusurils with propargyl functions were synthesized. The synthesis of the Propargyl₈BU[4] and Propargyl₁₂BU[6] were optimized. Theses BUs were functionalized by click chemistry with different azides like ester, benzyl and glycoside to dispose of new multivalent systems with a valency of 8 for the BU[4] and 12 for the BU[6]. For the first time, glycoBambusurils functionalized with D-mannose derivatives were prepared, and their antibacterial activities were assayed. Moreover, iminosugar from the family of the azido alkylated déoxynojirimycine, were grafted on the PropargylBUs to afford new inhibitors of glycosidases. These results show the importance of bambusuril scaffold and of the multivalence effect improve the affinity of the glycoBUs for the target.The association constants of R₁₂BU[6] functionalized, soluble in aqueous media for iodide were determined by isothermal titration calorimetry. The results show a good affinity of R12BU[6] for iodide (Ka ≃ 10⁵ M⁻¹).We studied as well an application of bambusuril for molecular imaging. A new bambusuril with biological ligands was designed and synthesized to introduce a bimodal probe PET/Optical in the last step. This probe will allow the combination of clinical diagnostic with PET and optical imaging. A proof of concept was realized with a function ¹⁸F labelled
Ben, Tiba Younes. "Synthèse d'analogues iodés du practolol". Université Joseph Fourier (Grenoble), 1997. http://www.theses.fr/1997GRE10269.
Texto completoPialat, Amélie. "Formation de liaisons C-N et C-O par catalyse de coordination ou par oxydation à l'iode hypervalent". Thesis, Montpellier 2, 2013. http://www.theses.fr/2013MON20204/document.
Texto completoThe direct functionalization of C-H bonds offers an attractive, atom- and step-economical alternative to traditional methods based on functional group transformations. Intermolecular C(sp3)-H amination reactions involving nitrene intermediates usually proceed with moderate yields and regioselectivities. In this context, new bifunctional compounds were developed and applied to copper and silver-catalyzed C-N bond-forming reactions. These systems, however, have been found to be ineffective under the reaction conditions.Our research has also focused on the iodine(III)-mediated nucleophilic functionalization of anilides. The direct triflation and triflimidation of acetanilides were accomplished with the use of affordable and easy-to-handle silver(I) triflate or triflimidate respectively, under mild oxidative conditions, exhibiting perfect regioselectivity for the para position. A complete optimization of the reaction conditions and an evaluation of the scope allowed us to prepare a variety of diversely substituted aryltriflates (and nonaflates) in synthetically useful yields
Grelier, Gwendal. "Les réactions d'amination C(sp³)–H catalytiques par transfert de nitrènes : diversité moléculaire et éco-compatibilité". Thesis, Université Paris-Saclay (ComUE), 2018. http://www.theses.fr/2018SACLS237.
Texto completoThis thesis describes the development of Rhodium(ᴵᴵ) catalyzed C(sp³)-H amination reactions with nitrenes. A first part will describe the recycling of hypervalent iodine reagents by-products as building-blocks in Amination/Cross Coupling sequences. The hypervalent iodine reagent is used as an oxidant to generate nitrene, a substrate for C(sp³)-H amination and a building block for palladium-catalyzed cross coupling reactions. A second part is centered on the development of a new nitrene precursor: carbamimidate, which structure is inspired from previous work on both carbamates and sulfonimidamides. Their preparation and use in intramolecular reactions will be presented. A third part of this work aim to combine the nitrene chemistry and the heterogeneous catalysis field to obtain an immobilized catalyst for C(sp³)-H amination. The preparation of the heterogeneous catalyst and its use in amination reactions is described. A last part will show the results obtained from mechanistic insights by DFT about palladium-catalyzed intramolecular arylation of glycosides
Dumonteil, Geoffrey. "Synthèse et pharmacomodulations de composés naturels issus de plantes". Thesis, Orléans, 2015. http://www.theses.fr/2015ORLE2061/document.
Texto completoPolyene units constitute an important function from organic compounds and are present in many natural products in the form of 1,3-conjugated dienes. It is therefore essential to develop methods to access these dienes while wearing a careful look at the environmental impact. During this work, we were able to synthesize a natural compound which has activity on type II diabetes: the abscisic acid. The key step leading to the success of this synthesis is the Heck reaction. From these results, we have developed a robust and efficient method to obtain various diene compounds (E, Z) and trienes (E, E, Z) without ligand or solvent. The compounds thus obtained are considered as potential analogues of the abscisic acid and are involved in various reactions in order to obtain the corresponding carboxylic acid or its bioisostere. In parallel with this synthesis application, we have developed a pathway to obtain benzo[d]thiazole compounds substituted in position 2 with an N-aryl or N-alkyl. This synthetic methodology is part of a context of environmental compatibility by using iodine catalyst
Fontanel, Marie-Laurence. "Oligonucléotides modifiés : synthèse, phosphorylation, immobilisation, hybridation et détection sur support". Université Joseph Fourier (Grenoble), 1994. http://www.theses.fr/1994GRE10092.
Texto completoVeclani, Daniele <1985>. "STUDI COMPUTAZIONALI SULLA CHIMICA DI COORDINAZIONE DELLO IONE TRIMETILSOLFONIO". Master's Degree Thesis, Università Ca' Foscari Venezia, 2013. http://hdl.handle.net/10579/3133.
Texto completoLyvinec, Gildas. "Développement de nouveaux iodanes chiraux : synthèse et oxydation in situ d’iodures d’aryles chiraux en iodanes pour la désaromatisation asymétrique des phénols". Thesis, Bordeaux 1, 2008. http://www.theses.fr/2008BOR13743.
Texto completoThe work presented in this thesis are about the synthesis of new chiral hypervalent iodine compounds analogues of the iodoxybenzoic acid, called IBX. This work shows an access to new chiral hypervalent iodine compounds which were used in enantioselective dearomatisation of phenols. In addition to the new compounds synthesized, this thesis gives a view of the complexity of the oxidation of iodine compounds. An alternative to this problematic synthetic step is given by the development of in situ generation methodology of hypervalent iodine compounds in order to perform an enantioselectiv variant of the dearomatization reaction
Laloui, Ratiba. "Oxydation de l'iode par le peroxyde d'hydrogène en milieu aqueux, à 25°C". Aix-Marseille 3, 2001. http://www.theses.fr/2001AIX30088.
Texto completoThe oxidation of iodine by hydrogen peroxide is one of the two stages of Bray-Liebhafskii's oscillator. The understanding of the chemistry of iodine resulting from this reaction is also useful for the reprocessing of irradiated fuel. The kinetics were studied by coupling of spectrophotometry and voltammetry techniques, on a reactional mixture of still composition obtained in fed reactor. Once the composition of the mixture analyzed in situ is made, the stop of the feed starts the reaction. The kinetic recordings of absorbance, current and, nul current potential according to time are complex and show several periods (initial period, period of sharp increase, and period of slowing down). The recordings were subjected to various treatments to obtain the rate according to time or to the concentration of iodine. Parameter settings by polynomes of three periods restore very correctly the morphology of curves. The evolution of the parameters with the initial composition brings new information (in this particular case the break of behavior in [I2]so / [H2O2] = 0,5) while no change of behavior shows itself before and after the stoechiometry. The presence of iodine (+1) was verified, and a mechanism is sketched
Joly, Véronique. "Etude théorique et expérimentale des mécanismes cinétiques dans le laser iode-oxygène chimique (LIOC)". Paris 11, 1989. http://www.theses.fr/1989PA112177.
Texto completoChaouche, Rachida. "Etude cinétique du système bistationnaire et oscillant : iodure-acide peroxomonosulfate". Aix-Marseille 3, 1997. http://www.theses.fr/1997AIX30126.
Texto completoAujollet, Yvan. "Etude des interactions chimiques iode-peinture dans un réacteur nucléaire (réacteur à eau pressurisée) en situation d'accident grave". Aix-Marseille 3, 1999. http://www.theses.fr/1999AIX30085.
Texto completoRousseau, Julia. "Chimio-radiothérapie des tumeurs cérébrales : intérêt de l'injection intratumorale de drogues antinéoplasiques". Phd thesis, Grenoble 1, 2007. http://www.theses.fr/2007GRE10195.
Texto completoHigh grade gliomas are aggressive tumors for which current treatments remain palliative. Radiotherapy efficacy is restricted by the surrounding brain tissue tolerance. One method based on the concomitant use of chemotherapeutic drugs and external photon irradiation has been proposed to improve the treatment outcome. The systemic administration of drugs is not effective in achieving the therapeutic level of drug needed for brain tumor treatment. This is due to the blood brain barrier (BBB) that prevents molecules passing through the vascular endothelium. Recent methods have been developed to circumvent the BBB. Among them, convection-enhanced delivery (CED) relies on the continuous infusion of a fluid containing a therapeutic agent, under a pressure gradient. It permits a homogeneous and controlled drug distribution. The aims of this study were to characterise the CED method, and then to utilise it for glioma treatment in preclinical studies. Several drugs were tested: cisplatin, carboplatin, oxaliplatin, and iodo-deoxyuridine. Two radiation modalities were evaluated: synchrotron stereotactic radiotherapy (monochromatic beam <100 keV) and high energy irradiation (6 MV) obtained with a conventional medical linear accelerator. The results obtained reveal that the effectiveness of the combined treatment (platinated drug plus photon irradiation) is highly related to that of the chemotherapy. The data, obtained with the platinated chemotherapy, also show that high-energy X-ray irradiation (6 MV) is as effective as synchrotron X-ray irradiation. The results broaden the applicability of this chemotherapeutic approach to clinical trials
Rousseau, Julia. "Chimio-radiothérapie des tumeurs cérébrales : intérêt de l'injection intratumorale de drogues antinéoplasiques". Phd thesis, Grenoble 1, 2007. http://tel.archives-ouvertes.fr/tel-00274902.
Texto completoHammoud, Sokaina. "Accès à de nouvelles structures tricycliques di-iodes à base indolique et isoindolique par iodocyclisation". Thesis, Tours, 2015. http://www.theses.fr/2015TOUR4034.
Texto completoA new access pathway to the original tricyclic structures "di-iodinated oxazino-indole" was developed from the commercial 1H-indole-2-carboxylic acids or functionalized 1H-indole-2-carboxylic acid obtained by Hemetsberger-Knittel reaction. The last step in this sequence is an iodocyclisation reaction that is proved to be completely regio- and stereoselective via 6-exo-dig process. This methodology was then extended to isoindolic series allowing access to original "di-iodinated oxazino-isoindole" motifs. To further extend this methodology, new"di-iodinated oxazepino-indoles" were prepared using the same synthetic approach from the 1H-indole-7-carboxylic acid. The reactivity of the di-iodinated tri-cyclic structures has been studied via Cross-Coupling reactions (Stille, Sonogashira and Suzuki) by the use of palladium salts allowing a regioselective functionalization of the exocyclic iodine
Arcangeli, Danilo. "Sensori tessili indossabili per la determinazione dello ione cloruro e del pH in fluidi biologici". Master's thesis, Alma Mater Studiorum - Università di Bologna, 2020. http://amslaurea.unibo.it/21682/.
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