On the "expanded local mode" approach applied to the methane molecule

Abstract

On the base of the "expanded local mode approach" (see, Ref. [12]) a simple expression of the ambiguity parameter sinγ of the CH4 molecule is estimated and then, using empirical relations between Fi...j force coefficients, simple relations between different spectroscopic parameters of the methane molecule are derived. Comparison with corresponding "experimental" values is made, that shows more than satisfactory correlations between both (predicted and obtained from experimental data) sets of parameters.

Original language	English
Pages (from-to)	61-65
Number of pages	5
Journal	Journal of Molecular Spectroscopy
Volume	264
Issue number	1
DOIs	https://doi.org/10.1016/j.jms.2010.09.011
Publication status	Published - Nov 2010

Keywords

Local mode model
Methane molecule
Rotational and vibrational parameters
Spectroscopic relations

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Spectroscopy
Atomic and Molecular Physics, and Optics

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10.1016/j.jms.2010.09.011

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title = "On the {"}expanded local mode{"} approach applied to the methane molecule",

abstract = "On the base of the {"}expanded local mode approach{"} (see, Ref. [12]) a simple expression of the ambiguity parameter sinγ of the CH4 molecule is estimated and then, using empirical relations between Fi...j force coefficients, simple relations between different spectroscopic parameters of the methane molecule are derived. Comparison with corresponding {"}experimental{"} values is made, that shows more than satisfactory correlations between both (predicted and obtained from experimental data) sets of parameters.",

keywords = "Local mode model, Methane molecule, Rotational and vibrational parameters, Spectroscopic relations",

author = "Ulenikov, {O. N.} and Bekhtereva, {E. S.} and C. Leroy and Fomchenko, {Anna Leonidovna}",

year = "2010",

month = nov,

doi = "10.1016/j.jms.2010.09.011",

language = "English",

volume = "264",

pages = "61--65",

journal = "Journal of Molecular Spectroscopy",

issn = "0022-2852",

publisher = "Academic Press Inc.",

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T1 - On the "expanded local mode" approach applied to the methane molecule

AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Leroy, C.

AU - Fomchenko, Anna Leonidovna

PY - 2010/11

Y1 - 2010/11

N2 - On the base of the "expanded local mode approach" (see, Ref. [12]) a simple expression of the ambiguity parameter sinγ of the CH4 molecule is estimated and then, using empirical relations between Fi...j force coefficients, simple relations between different spectroscopic parameters of the methane molecule are derived. Comparison with corresponding "experimental" values is made, that shows more than satisfactory correlations between both (predicted and obtained from experimental data) sets of parameters.

AB - On the base of the "expanded local mode approach" (see, Ref. [12]) a simple expression of the ambiguity parameter sinγ of the CH4 molecule is estimated and then, using empirical relations between Fi...j force coefficients, simple relations between different spectroscopic parameters of the methane molecule are derived. Comparison with corresponding "experimental" values is made, that shows more than satisfactory correlations between both (predicted and obtained from experimental data) sets of parameters.

KW - Local mode model

KW - Methane molecule

KW - Rotational and vibrational parameters

KW - Spectroscopic relations

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