Vibrational torsional coupling – high-resolution stimulated Raman-spectrum of the NU-3 band of ethane(C2H6)-C-12
Anno: 1992
Autori: Bermejo D., Santos J., Cancio P., Fernandezsanchez J.M., Montero S.
Affiliazione autori: 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.
Giornale/Rivista: JOURNAL OF CHEMICAL PHYSICS
Volume: 97 (10) Da Pagina: 7055 A: 7063
Parole chiavi: Molecular Spectroscopy; Stimulated Raman; Rovibrational spectraDOI: 10.1063/1.463531Citazioni: 28dati da “WEB OF SCIENCE” (of Thomson Reuters) aggiornati al: 2024-10-27Riferimenti tratti da Isi Web of Knowledge: (solo abbonati) Link per visualizzare la scheda su IsiWeb: Clicca quiLink per visualizzare la citazioni su IsiWeb: Clicca qui