Vibrational torsional coupling – high-resolution stimulated Raman-spectrum of the NU-3 band of ethane(C2H6)-C-12

Year: 1992

Authors: Bermejo D., Santos J., Cancio P., Fernandezsanchez J.M., Montero S.

Autors Affiliation: CSIC,INST ESTRUCTURA MAT

Abstract: We report a stimulated Raman spectrum of the Q branch of the nu3 band of ethane recorded with a resolution of about 0.0055 cm-1 and an absolute wave-number accuracy of the order of 0.001 cm-1. This spectrum is analyzed in terms of a vibrational-torsional coupling Hamiltonian that allows for the calculation of the observed wave numbers within the experimental uncertainty. The following spectroscopic parameters (in cm-1) have been obtained: nu3(0)=994.1108(10),B3A1s-B0=-0.006 165(3), B3E3d – B0=-0.006 170(2), B3E3s-B0 =-0.006 184(2), B3A3d-B0=-0.006 257(2), A3A1s-A0=-0.003 037(15), A3E3d-A0 =-0.003 040(12), A3E3s-A0=-0.003 054(12), and A3A3d-A0=-0.003 065(12). A strong dependence of the threefold torsional potential barrier with respect to the q3 normal mode, partial derivative V3/partial derivative q3 = -275.9 +/- 1.4 cm-1, is deduced from the present analysis.

Journal/Review: JOURNAL OF CHEMICAL PHYSICS

Volume: 97 (10)      Pages from: 7055  to: 7063

KeyWords: Molecular Spectroscopy; Stimulated Raman; Rovibrational spectra
DOI: 10.1063/1.463531

Citations: 28
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