CALCULATIONS OF STRETCHING VIBRATIONAL ENERGY LEVELS OF THE CH3I MOLECULE BY A NONLINEAR MODEL
Zhu Jun (朱俊)a, Gou Qing-quan (芶清泉)b
a Department of Applied Physics, Sichuan University, Chengdu 610065, China; b Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
Abstract A nonlinear model, i.e. the quantized discrete self-trapping equation, is applied to calculate the highly excited CH stretching vibrational energy levels of the CH3I molecule in the liquid phase at the electronic ground state up to n=8. The obtained results agree well with the experimental data and with those obtained from local mode model calculations. We note that the dominant feature of the methyl CH stretching vibrational energy levels of the CH3I molecule is a pattern of local mode pairs. When n≥7, all the vibrational energy of the CH3 group can nearly be localized on a single CH bond.
Received: 23 May 2000
Revised: 12 July 2000
Accepted manuscript online:
PACS:
33.15.Mt
(Rotation, vibration, and vibration-rotation constants)
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 19974027).
Cite this article:
Zhu Jun (朱俊), Gou Qing-quan (芶清泉) CALCULATIONS OF STRETCHING VIBRATIONAL ENERGY LEVELS OF THE CH3I MOLECULE BY A NONLINEAR MODEL 2001 Chinese Physics 10 286
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