Based on ab initio quantum calculations of the electronic structure for different conformers of V and V x gases, we propose an assignment of the fundamental vibrational states of the compounds.
This is a preview of subscription content, log in via an institution to check access.
References
L. M. Sverdlov, M. A. Kovner, and E. P. Krainov, Vibrational Spectra of Polyatomic Molecules [in Russian], Nauka, Moscow (1970).
L. A. Gribov and V. A. Dement’ev, Methods and Algorithms for Calculations in the Theory of Vibrational Spectra of Molecules [in Russian], Nauka, Moscow (1981).
V. F. Pulin, M. D. Él’kin, and V. I. Berezin, Study of the Dynamics of Different Classes of Molecular Compounds [in Russian], Izdat. SGTU, Saratov (2002).
B. F. Myasoedov, L. A. Gribov, and A. I. Pavlyuchko, Zh. Strukt. Khim., 47, No. 1, 449–456 (2006).
P. M. ?l’kin, V. F. Pulin, and A. S. Kladieva, Vestn. Sarat. Gos. Tekhnol. Univ., No. 2(25), 176–181 (2007).
Organisation for the Prohibition of Chemical Weapons, Cert. No. DB/007 (2001).
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople. Gaussian 03, Revision B.03; Gaussian Inc., Pittsburg PA (2003).
P. A. Braun and A. A. Kiselev, Introduction to the Theory of Vibrational Spectra [in Russian], Izdat. LGU, Leningrad (1983).
P. M. Él’kin, “Quantum mechanical analysis of anharmonicity effects in polyatomic molecules,” Dissertation in competitation for the academic degree of Candidate of Physical-Mathematical Sciences, Saratov (2005).
Author information
Authors and Affiliations
Corresponding author
Additional information
Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 76, No. 6, pp. 946–949, November–December, 2009.
Rights and permissions
About this article
Cite this article
Él’kin, P.M., Pulin, V.F. & Kladieva, A.S. Vibrational spectra of conformers of V and V x gases. J Appl Spectrosc 76, 894–897 (2009). https://doi.org/10.1007/s10812-010-9267-y
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10812-010-9267-y