NEW ASSIGNMENT OF FERMI RESONANCE-SPECTRA

被引：57

作者：

KELLMAN, ME ^{[1
]}

XIAO, L ^{[1
]}

机构：

[1] NORTHEASTERN UNIV,DEPT CHEM,BOSTON,MA 02115

来源：

JOURNAL OF CHEMICAL PHYSICS | 1990年 / 93卷 / 08期

关键词：

D O I：

10.1063/1.459577

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A new quantum number assignment is proposed for bend-stretch vibrational spectra with 2:1 Fermi resonance. Using a classification based on the catastrophe map and polyad phase spheres of the Fermi resonance fitting Hamiltonian, quantum numbers are assigned corresponding to the semiclassical dynamics of each energy level. The method is applied to assign experimental spectra of CH(CF3)3. The separability of the wave functions is discussed in terms of "nodal coordinates" for which the new quantum numbers are constants of the motion. © 1990 American Institute of Physics.

引用

页码：5821 / 5825

页数：5

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