For citation:
Jalmukhambetova E. A., Lejen L. E., El’kin L. M. Analysis of Vibration States of Heterocycles . Izvestiya of Saratov University. Physics , 2007, vol. 7, iss. 2, pp. 64-66. DOI: 10.18500/1817-3020-2007-7-2-64-66
This is an open access article distributed under the terms of Creative Commons Attribution 4.0 International License (CC-BY 4.0).
Published online:
28.12.2007
Full text:
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Language:
Russian
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Article type:
Article
UDC:
539.196.3
Analysis of Vibration States of Heterocycles
Autors:
Jalmukhambetova Elena Azzatulaevna, Astrakhan State University
Lejen L. E., Saratov State University
El’kin L. M., Yuri Gagarin State Technical University of Saratov
Abstract:
By using nonempirical quantum calculations adiabatic potentials have been suggest structural dynamical models dibenzocyclical heterocles, fluorene, dibenzofurane, dibenzotiofene, carbozole.
Key words:
Reference:
- Bree A., Zwarich R. The vibrations of dibenzothiophene // Spectrochim. Acta. 1971. V.27A. P.599–620.
- Bree A., Vilkov V.B. The vibrational spectra of dibenzofuran // J. of Мol. Spectrosc. 1973. V.48. P.124−134.
- Klots T.D., Collier W.B. Vibrational spectra, structure, assignment, ideal-gas thermodynamics of three-ring molecule: dibenzofuran // J. Mol. Struct. 1996. V.380. P.1–14.
- Bree A., Zwarich R. Vibrational assignement of fluorine from the infrared and Raman spectra // J. Chem. Phys. 1969. V.51. P.912–920.
- Matsunuma S., Kamisuki T., Adachi Y., Maeda S., Hirose C. Resonance CARS spectra and vibrational analysis of fluorine-h10 and fluorine-d10 in T1 state // Spectrochim. Acta. 1988. V.44A, №12. Р.1403–1407.
- Bree A., Zwarich R. Vibrational assignement of carbazole from the infrared and Raman spectra // J. Chem. Phys. 1968. V.49. P.3344–3358.
- Свердлов Л.М., Ковнер М.А., Крайнов Е.П. Колебательные спектры многоатомных молекул. М., 1970.
- Frisch M.J., Trucks G.W., Schlegel H.B. Caussian 03. Revision B.03. Pittsburg PA: Gaussian Inc., 2003.
- Краснощеков С.В., Степанов Н.Ф. Масштабирующие множители, как эффективные параметры для коррекции неэмпирического силового поля // Журн. физ. химии. 2007. Т.81, № 4. С.680–689.
Received:
15.08.2007
Accepted:
05.11.2007
Published:
28.12.2007
Journal issue:
- 1206 reads