✦ LIBER ✦

Second-order perturbation theory corrections to effective Fermi resonance coupling constants

✍ Scribed by M.M. Law; J.L. Duncan

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 390 KB
Volume: 212
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)87126-n

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✦ Synopsis

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.

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