2ND-ORDER PERTURBATION-THEORY CORRECTIONS TO EFFECTIVE FERMI RESONANCE COUPLING-CONSTANTS

被引：24

作者：

LAW, MM ^{[1
]}

DUNCAN, JL ^{[1
]}

机构：

[1] UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 212卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(93)87126-N

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：

Second-order perturbation theory corrections to effective Fermi resonance coupling constants have been derived analytically within the framework of the traditional rectilinear normal coordinate approach to the analysis of anharmonic molecular vibrations. These corrections have been evaluated for a range of methyl halide molecules (including deuterated isotopomers) and are found to rationalise qualitatively discrepancies between the empirical effective Fermi resonance parameters and theoretical normal coordinate cubic force constants.

引用

页码：172 / 176

页数：5

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