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The Study of Dynamical Potentials of Highly Excited Vibrational States of HOBr.

Authors :
Aixing Wang
Lifeng Sun
Chao Fang
Yibao Liu
Source :
International Journal of Molecular Sciences. Mar2013, Vol. 14 Issue 3, p5250-5263. 14p. 1 Diagram, 2 Charts, 3 Graphs.
Publication Year :
2013

Abstract

The vibrational nonlinear dynamics of HOBr in the bending and O-Br stretching coordinates with anharmonicity and Fermi 2:1 coupling are studied with dynamical potentials in this article. The result shows that the H-O stretching vibration mode has significantly different effects on the coupling between the O-Br stretching mode and the H-O-Br bending mode under different Polyad numbers. The dynamical potentials and the corresponding phase space trajectories are obtained when the Polyad number is 27, for instance, and the fixed points in the dynamical potentials of HOBr are shown to govern the various quantal environments in which the vibrational states lie. Furthermore, it is also found that the quantal environments could be identified by the numerical values of action integrals, which is consistent with former research. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
16616596
Volume :
14
Issue :
3
Database :
Academic Search Index
Journal :
International Journal of Molecular Sciences
Publication Type :
Academic Journal
Accession number :
86683068
Full Text :
https://doi.org/10.3390/ijms14035250