2012Chinese Physics BRequires access

Vibrational spectra and intramolecular vibrational redistribution in methane and its isotopomers

Xi-Wen Hou, Ming-Fang Wan, Zhong-Qi Ma

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Abstract

An improved U (2) algebraic model is introduced to study the stretching and bending vibrational spectra of methane and its isotopomers. The algebraic model with fewer parameters reproduces the experimental spectra with good precision. Moreover, the obtained parameters describe well the correct behavior of isotopic substitution. It is shown that the Fermi resonance leads to a very fast intramolecular vibrational redistribution among stretches and bends.

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What this paper is about

An improved U (2) algebraic model is introduced to study the stretching and bending vibrational spectra of methane and its isotopomers. The algebraic model with fewer parameters reproduces the experimental spectra with good precision. Moreover, the obtained parameters describe well the correct behavior of isotopic substitution. It is shown that the Fermi resonance leads to a very fast intramolecular vibrational redistribution among stretches and bends.

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Available abstract

An improved U (2) algebraic model is introduced to study the stretching and bending vibrational spectra of methane and its isotopomers. The algebraic model with fewer parameters reproduces the experimental spectra with good precision. Moreover, the obtained parameters describe well the correct behavior of isotopic substitution. It is shown that the Fermi resonance leads to a very fast intramolecular vibrational redistribution among stretches and bends.

Key concepts: Isotopomers, Intramolecular force, Fermi resonance, Redistribution (election), Spectral line, Kinetic isotope effect, Methane, Materials science

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