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Relevant bibliographies by topics / Polyatomic molecular spectra

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Academic literature on the topic 'Polyatomic molecular spectra'

Author: Grafiati

Published: 4 June 2021

Last updated: 16 February 2022

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Journal articles on the topic "Polyatomic molecular spectra"

1

Larkins, FP, LC Tulea, and EZ Chelkowska. "Auger Electron Spectra of Molecules: The First Row Hydrides." Australian Journal of Physics 43, no. 5 (1990): 625. http://dx.doi.org/10.1071/ph900625.

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A semi-empirical molecular orbital approach primarily developed to predict the Auger energies and transition rates associated with complex polyatomic molecules has been evaluated by reference to the first row hydrides. For this suite of molecules, spanning a range of symmetry classes, high resolution experimental spectra and ab initio energy calculations are available for comparison. The method proposed provides a good first estimate for transition rates. Relative Auger energies are less satisfactory, especially when electron correlation effects are strong. Absolute kinetic energies are too low, principally due to the neglect of electronic relaxation. The usefulness of the approach is mainly for the interpretation of spectra for larger systems where ab initio calculations are not readily accomplished. A need for further experimental measurements obtained using photoelectron-Auger electron coincidence studies is identified to remove uncertainties associated with the extent of satellite contributions present in all the spectral profiles so far recorded. In the present work the satellite contribution to the methane Auger spectrum is estimated to be 16% of the total intensity compared with an earlier estimate in the literature of 49%.

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Borondo, F., J. M. Gomez Llorente, and R. M. Benito. "Theoretical Methods for the Analysis of Spectra of Highly Vibrationally Excited Polyatomic Molecules." Laser Chemistry 12, no. 1-2 (January 1, 1992): 85–102. http://dx.doi.org/10.1155/lc.12.85.

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The vibrational spectra of classically chaotic systems are usually very complicated and seemingly unassignable. In this paper, two methods for the analysis of spectra of highly vibrationally excited polyatomic molecules are described, and some results for the floppy molecules HCN and LiNC are presented. By application of these methods, relevant information on the underlying dynamics is obtained, thus establishing a bridge between the spectroscopy and the dynamics of these systems.

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Bonatsos, Dennis, and C. Daskaloyannis. "Vibrational molecular and nuclear spectra in terms of quantum algebras." HNPS Proceedings 4 (February 19, 2020): 121. http://dx.doi.org/10.12681/hnps.2879.

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A generalized deformed oscillator giving the same spectrum as the Morse potential is con structed through the use of quantum algebraic techniques. The model of n coupled anharmonic oscillators of Iachello and Oss, suitable for the description of vibrational spectra of polyatomic molecules, is subsequently written in terms of such generalized deformed oscillators. In addition to clarifying the relation of the model of Iachello and Oss to other models using coupled oscillators for the description of vibrational molecular spectra, the present formalism allows for the construction of a large class of exactly soluble models with no extra computational effort. As an example, the way of including a coupling of the Darling-Dennison type is shown. Nuclear models giving good descriptions of vibrational spectra are reviewed and the need of modifying the SUq(2) model in order to extend its region of applicability towards the vibrational limit is discussed.

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Alimpiev, S. S., and B. G. Sartakov. "The Spectral Features of Polyatomic Molecules Multiphoton Excitation in a Strong IR-Laser Field." Laser Chemistry 12, no. 3-4 (January 1, 1992): 147–72. http://dx.doi.org/10.1155/lc.12.147.

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The experimental data on multiphoton excitation of polyatomic molecules in strong fields of high pressure continuously tunable CO2 lasers are presented. The program package for computer simulation of multiphoton excitation spectra and excitation dynamics is developed. Good agreement between computer simulation and experimental data is observed.

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Yamanouchi, Kaoru, Jun Miyawaki, Soji Tsuchiya, David M. Jonas, and Robert W. Field. "New Scheme for Extracting Molecular Dynamics from Spectra: Case Study on Vibrationally Highly Excited Acetylene." Laser Chemistry 14, no. 1-3 (January 1, 1994): 183–90. http://dx.doi.org/10.1155/1994/34542.

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Three types of analyses: generalized conventional spectroscopic analysis, statistical analysis, and hierarchical analysis, by which we aim to extract dynamical information from the complex spectrum of small polyatomic molecules are reviewed by referring to recent studies on vibrationally highly excited acetylene. A convolution analysis, one type of hierarchical analysis, is performed on the dispersed fluorescence spectrum of acetylene to demonstrate its practical applicability. Based on previous studies, as well as on the convolution analysis, a systematic and efficient procedure to treat such complex spectra is discussed.

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Plíva, Josef. "On rotational resonances in the spectra of polyatomic molecules." Journal of Molecular Spectroscopy 120, no. 1 (November 1986): 5–10. http://dx.doi.org/10.1016/0022-2852(86)90066-4.

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Calero, S., B. Garzón, S. Jorge, Mejías, J. Tortajada, and S. Lago. "Suitability of the Kihara Potential To Predict Molecular Spectra of Linear Polyatomic Liquids." Journal of Physical Chemistry B 104, no. 24 (June 2000): 5808–15. http://dx.doi.org/10.1021/jp993904j.

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I McKay, Ruth, Evan J Bieske, Ian M Atkinson, Frederick R Bennett, Andrew J Bradley, Mark W Rainbird, Andrew B Rock, Angelo S Uichanco, and Alan EW Knight. "Spectroscopy and Structure of Aromatic?Rare Gas Cluster Ions." Australian Journal of Physics 43, no. 5 (1990): 683. http://dx.doi.org/10.1071/ph900683.

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Ionic clusters consisting of a polyatomic ion surrounded by a few 'solvent' atoms or molecules, provide a connecting link between the isolated gas phase ion and the ion solvated in a condensed medium. Analysis of the vibrational structure associated with the motion of the cluster atoms can reveal details concerning the intermolecular potential. However, for large polyatomic ions, information concerning the cluster vibrational motion has been difficult to obtain using conventional spectroscopic methods. We have developed a new combination of the previously available techniques of supersonic cooling, resonance-enhanced multi photon ionisation, timeof- flight mass spectroscopy, in concert with one-photon photodissociation spectroscopy. This new technique takes advantage of the facile predissociation of an electronically excited cluster and affords us a method of studying the previously unmeasurable vibrational structure associated with the motion of a molecular cluster ion. Using this technique we have obtained vibrationally resolved photodissociation spectra of a number of aromatic-rare gas cluster ions. Analysis of their vibrational structure permits structural details of the cluster cation to be deduced.

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Alcolea Palafox, Mauricio, and V. K. Rastogi. "Quantum chemical predictions of the vibrational spectra of polyatomic molecules." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 58, no. 3 (February 2002): 411–40. http://dx.doi.org/10.1016/s1386-1425(01)00509-1.

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Maring, W., and J. P. Toennies. "High Resolution Proton Energy Loss Spectroscopy of High Overtone Levels of Polyatomic Molecules." Laser Chemistry 11, no. 3-4 (January 1, 1991): 247–52. http://dx.doi.org/10.1155/lc.11.247.

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In the inelastic scattering of nearly monoenergetic proton beams (≅ 20 e V) from polyatomic molecules such as CF4 sharp peaks are observed corresponding to the excitation of very high overtone levels (n ≤ 14) of the infrared active modes. The collision mechanism leading to the high degree of excitation is described and an example from recent experiments is presented. A fit of the CF4 spectra provides new anharmonicity constants for the ν3-mode.

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Dissertations / Theses on the topic "Polyatomic molecular spectra"

1

Woodward, D. R. "High resolution spectroscopy of transient species." Thesis, University of Oxford, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376972.

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2

Ware, John Matthew. "The Rotational Spectra of Propyne in the Ground, V₁₀=1, V₁₀=2, and V₉=1 Vibrational States." Thesis, North Texas State University, 1985. https://digital.library.unt.edu/ark:/67531/metadc332054/.

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The problem of a vibrating-rotating polyatomic molecule is treated, with emphasis given to the case of molecules with C_3v symmetry. It is shown that several of the gross features of the rotational spectra of polyatomic molecules in excited vibrational states can be predicted by group theoretical considerations. Expressions for the rotational transition frequencies of molecules of C_3v symmetry in the ground vibrational state, singly excited degenerate vibrational states, and doubly excited degenerate vibrational states are given. The derivation of these expressions by fourth order perturbation theory as given by Amat, Nielsen, and Tarrago is discussed. The ground and V_10=1 rotational spectra of propyne have been investigated in the 17 to 70 GHz, and 17 to 53 GHz regions, respectively, and compared with predictions based on higher frequency measurements. The V_9=1 and V_10=2 rotational spectra of propyne have been investigated and assigned for the first time. A perturbation of the V_9=1 rotational spectra for K=-l has been discovered and discussed.

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Sahm, David Karl. "The classical mechanics of mode-mode energy transfer in polyatomic molecules." Diss., Georgia Institute of Technology, 1990. http://hdl.handle.net/1853/29997.

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Taday, Philip F. "Supersonic jet and picosecond laser fluorescence spectra of styrene and methylstyrenes." Thesis, University of Reading, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.304544.

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Coats, Alison M. "Vibrational spectra, force fields and structures of polyatomic molecules." Thesis, University of Aberdeen, 1991. http://digitool.abdn.ac.uk/R?func=search-advanced-go&find_code1=WSN&request1=AAIU546415.

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This Thesis reports the results of detailed isotopic studies carried out on three main groups of compounds, MMe2(M= Zn,Cd,Hg), MH 4(M= Si,Ge,Sn) and B(OMe)3 (Me&61 12CH 3,13CH3,12CD3). The infrared and Raman spectra of four isotopic species, 12CH 3, 13CH3, 12CD3, 13CD3, of dimethyl zinc, cadmium and mercury have been recorded, the fundamental frequencies corrected for Fermi resonance and anharmonicity and the empirical force field of each compound calculated. By incorporating interaction force constants determined by ab initio methods, semi-empirical force fields have also been calculated for these three compounds. A comparison of the scaled ab initio force fields with the empirical force field shows that properly constructed basis sets which employ effective core potentials are capable of producing results of similar quality to near Hartree-Fock calculations on molecules containing lighter atoms. The absolute infrared intensities in the 12CH3 isotopes of dimethylzinc, cadmium and mercury and in (12CD3)2Zn have been measured and the associated electrooptical parameters and atomic polar tensors calculated. The electrooptical models which appeared capable of explaining hydrocarbon infrared intensities have been shown to be invalid for these organometallic compounds. Atomic polar tensors have proved to be the more satisfactory means of representing infrared intensities generally. The absolute infrared intensities of SiH4, GeH4 and SnH4 have been remeasured in order to clarify the confusion over previous conflicting results. The unusual intensity patterns and the technological importance of these compounds in chemical vapour deposition made more precise intensity data desirable. The link between the gas phase intensities of these compounds and their gas-crystal shifts has been discussed and the electrooptical parameters and atomic polar tensors have been calculated for all three compounds. Three isotopes of trimethoxy boron; B(O12CH3)3, B(O13CH 3)3 and B(O12CD3)3 have been prepared and their infrared and Raman spectra recorded. The new 13C shifts allowed the spectra to be analysed in greater detail than was previously possible. A rudimentary force field of trimethoxy boron has also been calculated.

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Rhee, Won Myung. "A Comprehensive Model for the Rotational Spectra of Propyne CH₃CCH in the Ground and V₁₀=1,2,3,4,5 Vibrational States." Thesis, North Texas State University, 1986. https://digital.library.unt.edu/ark:/67531/metadc332026/.

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The energy states of C₃ᵥ symmetric top polyatomic molecules were studied. Both classical and quantum mechanical methods have been used to introduce the energy states of polyatomic molecules. Also, it is shown that the vibration-rotation spectra of polyatomic molecules in the ground and excited vibrational states can be predicted by group theory. A comprehensive model for predicting rotational frequency components in various v₁₀ vibrational levels of propyne was developed by using perturbation theory and those results were compared with other formulas for C₃ᵥ symmetric top molecules. The v₁₀=1,2,3 and ground rotational spectra of propyne in the frequency range 17-70 GHz have been reassigned by using the derived comprehensive model. The v₁₀=3 and v₁₀=4 rotational spectra of propyne have been investigated in the 70 GHz, and 17 to 52 GHz regions, respectively, and these spectral components assigned using the comprehensive model. Molecular constants for these vibrationally excited states have been determined from more than 100 observed rotational transitions. From these experimentally observed components and a model based upon first principles for C₃ᵥ symmetry molecules, rotational constants have been expressed in a form which enables one to predict rotational components for vibrational levels for propyne up to v₁₀=5. This comprehensive model also appears to be useful in predicting rotational components in more highly excited vibrational levels but data were not available for comparison with the theory. Several techniques of assignment of rotational spectra for each excited vibrational state are discussed. To get good agreement between theory and experiment, an additional term 0.762(J+1) needed to be added to Kℓ=1 states in v₁₀=3. No satisfactory theoretical explanation of this term has been found. Experimentally measured frequencies for rotational components for J→(J+1)=+1 (0≤J≤3) in each vibration v₁₀=n (0≤n≤4) are presented and compared with those calculated using the results of basic perturbation theory. The v₉=2 rotational spectrum of the propyne molecule was introduced in Appendix A to compare the rotational spectra of the same molecule in different vibrational levels v₉ and v₁₀.

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7

Krčmář, Jindřich [Verfasser], Wolfgang [Akademischer Betreuer] Domcke, and Steffen Johannes [Akademischer Betreuer] Glaser. "Novel methods for the calculation of two-dimensional electronic spectra of polyatomic molecules / Jindřich Krčmár. Gutachter: Steffen Johannes Glaser ; Wolfgang Domcke. Betreuer: Wolfgang Domcke." München : Universitätsbibliothek der TU München, 2015. http://d-nb.info/107324802X/34.

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8

Georges, Robert. "Spectroscopie vibronique de la molécule NO2 refroidie en jet supersonique." Université Joseph Fourier (Grenoble ; 1971-2015), 1994. http://www.theses.fr/1994GRE10112.

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La structure vibronique de la molecule de dioxyde d'azote a ete etudiee dans deux regions spectrales grace a deux techniques spectroscopiques differentes combinees toutes deux a l'utilisation d'un jet supersonique (qui a pour effet de simplifier enormement le spectre rotationnel): la spectroscopie ultrasensible d'absorption intra cavite laser (iclas), combinee a l'utilisation d'un jet supersonique en fente, a permis d'observer, avec une resolution de 0. 05 cm#-#1, 175 bandes vibroniques froides entre 11200 et 16150 cm#-#1. La spectroscopie d'excitation par fluorescence induite par laser (lif) a permis d'etendre le spectre au dela de 16000 cm#-#1 a plus haute resolution (0. 003 cm#-#1): nous disposons dorenavant de 350 bandes vibroniques froides entre 16000 et 19363 cm#-#1. Un modele de densite d'etats integree a ete elabore d'une part pour estimer le nombre de niveaux vibroniques observes par rapport au nombre de niveaux vibroniques attendus et d'autre part pour effectuer le redressement de la densite d'etats integree experimentale, etape indispensable a l'etude des proprietes statistiques des niveaux d'energie observes. D'apres ce modele pres de 96% des bandes vibroniques ont ete detectees entre 16578 et 19363 cm#-#1. La purete de cet ensemble de niveau permet une interpretation fiable des analyses statistiques (distribution du premier voisin, transformee de fourier, etc) qui mettent en evidence l'existence d'un chaos vibronique fortement developpe des 17000 cm#-#1. Les transformees de fourier des differents spectres vibroniques de la molecule ont par ailleurs permis de proposer des valeurs experimentales pour les frequences d'elongation symetrique, de pliage et d'elongation antisymetrique de l'etat electronique excite a#2b#2

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Books on the topic "Polyatomic molecular spectra"

1

Jacox, Marilyn E. Vibrational and electronic energy levels of polyatomic transient molecules. Woodbury, N.Y: American Chemical Society and the American Institute of Physics for the National Institute of Standards and Technology, 1994.

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2

Photodissociation dynamics: Spectroscopy and fragmentation of small polyatomic molecules. Cambridge [England]: Cambridge University Press, 1993.

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3

Molecular Spectra and Molecular Structure: Electronic Spectra and Electronic Structure of Polyatomic Molecules (Molecular Spectra & Molecular Structure). Krieger Publishing Company, 1991.

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4

Molecular Spectra and Molecular Structure: Infrared and Raman of Polyatomic Molecules. Krieger Pub Co, 1991.

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5

Robin, Melvin B. Higher Excited States of Polyatomic Molecules. Academic Press Inc.,U.S., 1985.

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Robin, Melvin B. Higher Excited States of Polyatomic Molecules. Academic Press Inc.,U.S., 1985.

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7

Photodissociation Dynamics: Spectroscopy and Fragmentation of Small Polyatomic Molecules (Cambridge Monographs on Atomic, Molecular and Chemical Physics). Cambridge University Press, 1995.

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8

Kuchitsu, K., ed. Structure Of Free Polyatomic Molecules: BASIC DATA (Data in Science & Technology). SPRINGER-VERLAG, 1998.

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Book chapters on the topic "Polyatomic molecular spectra"

1

Hanson, Ronald K., R. Mitchell Spearrin, and Christopher S. Goldenstein. "Polyatomic Molecular Spectra." In Spectroscopy and Optical Diagnostics for Gases, 59–78. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-23252-2_4.

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Boggs, James E. "Theoretical Approaches to the Vibrational Spectra of Polyatomic Molecules." In Topics in Molecular Organization and Engineering, 187–97. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-011-2498-0_11.

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Field, Robert W. "Rotation of Polyatomic Molecules." In Spectra and Dynamics of Small Molecules, 69–84. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-15958-4_5.

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Field, Robert W. "The Effective Hamiltonian for Polyatomic Molecule Vibration." In Spectra and Dynamics of Small Molecules, 113–27. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-15958-4_7.

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Iung, C., and C. Leforestier. "Accurate Determination of Polyatomic Infrared Spectra." In Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules, 251–59. Dordrecht: Springer Netherlands, 1989. http://dx.doi.org/10.1007/978-94-009-0945-8_15.

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Ross, Ian G. "High-Resolution Electronic Spectra of Large Polyatomic Molecules." In Advances in Chemical Physics, 341–91. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470143681.ch6.

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Clary, David C., Charusita Chakravarty, and Andrew R. Tiller. "Predictions of Spectra for Van der Waals Molecules." In Dynamics of Polyatomic Van der Waals Complexes, 355–69. New York, NY: Springer US, 1990. http://dx.doi.org/10.1007/978-1-4684-8009-2_26.

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Makarov, A. A. "Spectra of Transitions in the Vibrational Quasicontinuum of Polyatomic Molecules." In Laser Spectroscopy of Highly Vibrationally Excited Molecules, 106–77. Boca Raton: CRC Press, 2021. http://dx.doi.org/10.1201/9781003208921-3.

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Zasavitsky, I. I., and A. I. Nadezhdinsky. "Spectral Gas Analysis of Polyatomic Molecules by Tunable Diode Lasers." In Monitoring of Gaseous Pollutants by Tunable Diode Lasers, 95–106. Dordrecht: Springer Netherlands, 1987. http://dx.doi.org/10.1007/978-94-009-3991-2_15.

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Avarmaa, R. "Zero-Phonon Lines in the Spectra of Polyatomic, Including Biogenic, Molecules." In Zero-Phonon Lines, 73–88. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73638-4_5.

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Conference papers on the topic "Polyatomic molecular spectra"

1

Nadezhdinskii, Alexander I. "Spectral lines broadening in polyatomic molecules spectra: local lines mixing." In High Resolution Molecular Spectroscopy: 11th Symposium and School, edited by Alexander I. Nadezhdinskii, Yu V. Ponomarev, and Leonid N. Sinitsa. SPIE, 1994. http://dx.doi.org/10.1117/12.166241.

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Zak, Emil, and Tucker Carrington. "A NONDIRECT PRODUCT DISCRETE VARIABLE REPRESENTATION-LIKE METHOD FOR CALCULATING VIBRATIONAL SPECTRA OF POLYATOMIC MOLECULES." In 73rd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2018. http://dx.doi.org/10.15278/isms.2018.mh04.

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Mukherjee, P., H. S. Kwok, and Suny-Buffalo. "Collisionless absorption spectra of vibrationally hot polyatomic molecules." In Conference on Lasers and Electro-Optics. Washington, D.C.: OSA, 1986. http://dx.doi.org/10.1364/cleo.1986.mc2.

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Nadezhdinskii, Alexander I., Eugene V. Stepanov, and Ivan I. Zasavitskii. "Spectral gas analysis of polyatomic molecules by tunable diode lasers." In Tunable Diode Laser Applications, edited by Alexander I. Nadezhdinskii and Alexander M. Prokhorov. SPIE, 1992. http://dx.doi.org/10.1117/12.58673.

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Nadezhdinskii, Alexander I., and Eugene V. Stepanov. "Investigation of collisional broadening in the spectra of polyatomic molecules by diode laser spectroscopy techniques." In Tunable Diode Laser Applications, edited by Alexander I. Nadezhdinskii and Alexander M. Prokhorov. SPIE, 1992. http://dx.doi.org/10.1117/12.58671.

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