On the study of XY2 (my ≪ mx) plane molecules

Abstract

The 'expanded local mode approach' derived in Ref. [1] (Ulenikov et al., Spectrochim. Acta Part A, 52 (1996) 1829) is modified in an appropriate way for the analysis of XY₂ (C_2v) molecules having an arbitrary value of the equilibrium interbond angle 2α_e. It is shown that the conditions considered allow one to estimate with good enough accuracy the harmonic frequencies (quadratic force field parameters) of a molecule on the basis of experimental information on pure rotational spectra only.

Original language	English
Pages (from-to)	329-334
Number of pages	6
Journal	Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume	53
Issue number	3 PART A
Publication status	Published - 1 Mar 1997

Keywords

Centrifugal parameters
Harmonic frequencies
Local modes

ASJC Scopus subject areas

Analytical Chemistry
Atomic and Molecular Physics, and Optics
Instrumentation
Spectroscopy

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abstract = "The 'expanded local mode approach' derived in Ref. [1] (Ulenikov et al., Spectrochim. Acta Part A, 52 (1996) 1829) is modified in an appropriate way for the analysis of XY2 (C2v) molecules having an arbitrary value of the equilibrium interbond angle 2αe. It is shown that the conditions considered allow one to estimate with good enough accuracy the harmonic frequencies (quadratic force field parameters) of a molecule on the basis of experimental information on pure rotational spectra only.",

keywords = "Centrifugal parameters, Harmonic frequencies, Local modes",

author = "Ulenikov, {O. N.} and Yurchenko, {S. N.} and Tolchenov, {R. N.}",

year = "1997",

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pages = "329--334",

journal = "Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy",

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AU - Ulenikov, O. N.

AU - Yurchenko, S. N.

AU - Tolchenov, R. N.

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N2 - The 'expanded local mode approach' derived in Ref. [1] (Ulenikov et al., Spectrochim. Acta Part A, 52 (1996) 1829) is modified in an appropriate way for the analysis of XY2 (C2v) molecules having an arbitrary value of the equilibrium interbond angle 2αe. It is shown that the conditions considered allow one to estimate with good enough accuracy the harmonic frequencies (quadratic force field parameters) of a molecule on the basis of experimental information on pure rotational spectra only.

AB - The 'expanded local mode approach' derived in Ref. [1] (Ulenikov et al., Spectrochim. Acta Part A, 52 (1996) 1829) is modified in an appropriate way for the analysis of XY2 (C2v) molecules having an arbitrary value of the equilibrium interbond angle 2αe. It is shown that the conditions considered allow one to estimate with good enough accuracy the harmonic frequencies (quadratic force field parameters) of a molecule on the basis of experimental information on pure rotational spectra only.

KW - Centrifugal parameters

KW - Harmonic frequencies

KW - Local modes

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JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

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IS - 3 PART A

ER -

On the study of XY₂ (m_y ≪ m_x) plane molecules

Abstract

Keywords

ASJC Scopus subject areas

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