C—H and C—D interbond coupling and fermi resonance interactions in CHD2C1

M. M. Law; J. L. Duncan

doi:10.1080/00268979100102641

C—H and C—D interbond coupling and fermi resonance interactions in CHD₂C1

M. M. Law, J. L. Duncan

Chemistry

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12 Citations (Scopus)

Abstract

The infrared absorption spectrum of CHD₂C1 up to 16500cm^-1 has been reanalysed in terms of a local mode model Hamiltonian including C-H/C-D stretching 1:1 harmonic resonance and a C-H stretch/bend 1:2 anharmonic Fermi resonance. Predominant extra structure in the C-H stretching overtone region is attributed to harmonic coupling with C-D stretching while weaker structure is attributed to anharmonic coupling with the overtone of the in-plane C-H bend. The Fermi resonance effects of the overtone of the out-of-plane C-H bend are smaller still in comparison. “x-K relations” have been established for this C_s symmetry CHD₂ stretching system.

Original language	English
Pages (from-to)	861-870
Number of pages	10
Journal	Molecular Physics
Volume	74
Issue number	4
DOIs	https://doi.org/10.1080/00268979100102641
Publication status	Published - Nov 1991

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title = "C—H and C—D interbond coupling and fermi resonance interactions in CHD2C1",

abstract = "The infrared absorption spectrum of CHD2C1 up to 16500cm-1 has been reanalysed in terms of a local mode model Hamiltonian including C-H/C-D stretching 1:1 harmonic resonance and a C-H stretch/bend 1:2 anharmonic Fermi resonance. Predominant extra structure in the C-H stretching overtone region is attributed to harmonic coupling with C-D stretching while weaker structure is attributed to anharmonic coupling with the overtone of the in-plane C-H bend. The Fermi resonance effects of the overtone of the out-of-plane C-H bend are smaller still in comparison. “x-K relations” have been established for this Cs symmetry CHD2 stretching system.",

author = "Law, {M. M.} and Duncan, {J. L.}",

note = "Funding Information: The authors thank the Carnegie Trust for the Universities of Scotland for support of this work through the award of a studentship to M.M.L., and Dr J. E. Baggott, University of Reading, for making available to them photoacoustic spectra of CHD 2C 1 above 13 000 cm-i.",

year = "1991",

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AU - Duncan, J. L.

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AB - The infrared absorption spectrum of CHD2C1 up to 16500cm-1 has been reanalysed in terms of a local mode model Hamiltonian including C-H/C-D stretching 1:1 harmonic resonance and a C-H stretch/bend 1:2 anharmonic Fermi resonance. Predominant extra structure in the C-H stretching overtone region is attributed to harmonic coupling with C-D stretching while weaker structure is attributed to anharmonic coupling with the overtone of the in-plane C-H bend. The Fermi resonance effects of the overtone of the out-of-plane C-H bend are smaller still in comparison. “x-K relations” have been established for this Cs symmetry CHD2 stretching system.

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C—H and C—D interbond coupling and fermi resonance interactions in CHD₂C1

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