Результаты исследований: Научные публикации в периодических изданиях › статья
Fermi resonances in the vibrational spectrum of perfluoroethane. / Golubkova, O.S.; Shchepkin, D.N.; Bertsev, V.V.; Sergeev, P.K.
в: Journal of Molecular Structure, 2015, стр. 20-24.Результаты исследований: Научные публикации в периодических изданиях › статья
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TY - JOUR
T1 - Fermi resonances in the vibrational spectrum of perfluoroethane
AU - Golubkova, O.S.
AU - Shchepkin, D.N.
AU - Bertsev, V.V.
AU - Sergeev, P.K.
PY - 2015
Y1 - 2015
N2 - © 2015 Elsevier B.V. All rights reserved.In this paper the Raman spectrum of liquid C2F6 in the spectral region 250-1500 cm-1 is presented. Data on six fundamental Raman bands of C2F6 are obtained. Doublets are observed in the spectral regions of the ν1 (A1g) (1416.3 cm-1, 1425.0 cm-1) and ν7 (Eg) (1221.9 cm-1, 1239.7 cm-1) fundamental bands. The structure of these bands is explained in terms of the Fermi resonances of ν7 ∼ (2ν8) ∼ (ν6 + ν11) (Eg) and ν1 ∼ (2ν6) (A1g) states. The values of the cubic potential energy constant K166 = 7.7 (2) cm-1 and the effective matrix element of a threefold interaction Weff = 8.5 (5) cm-1 were derived from the simultaneous processing of the doublet parameters in the Raman spectrum of liquid C2F6 and in the IR spectrum of C2F6 in liquid N2.
AB - © 2015 Elsevier B.V. All rights reserved.In this paper the Raman spectrum of liquid C2F6 in the spectral region 250-1500 cm-1 is presented. Data on six fundamental Raman bands of C2F6 are obtained. Doublets are observed in the spectral regions of the ν1 (A1g) (1416.3 cm-1, 1425.0 cm-1) and ν7 (Eg) (1221.9 cm-1, 1239.7 cm-1) fundamental bands. The structure of these bands is explained in terms of the Fermi resonances of ν7 ∼ (2ν8) ∼ (ν6 + ν11) (Eg) and ν1 ∼ (2ν6) (A1g) states. The values of the cubic potential energy constant K166 = 7.7 (2) cm-1 and the effective matrix element of a threefold interaction Weff = 8.5 (5) cm-1 were derived from the simultaneous processing of the doublet parameters in the Raman spectrum of liquid C2F6 and in the IR spectrum of C2F6 in liquid N2.
U2 - 10.1016/j.molstruc.2015.02.059
DO - 10.1016/j.molstruc.2015.02.059
M3 - Article
SP - 20
EP - 24
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
ER -
ID: 4001884