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Vibrationalndash;torsional coupling. Highhyphen;resolution stimulated Raman spectrum of the ngr;3band of ethane (12C2H6)

机译:Vibrationalndash;torsional coupling. Highhyphen;resolution stimulated Raman spectrum of the ngr;3band of ethane (12C2H6)

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We report a stimulated Raman spectrum of theQbranch of the ngr;3band of ethane recorded with a resolution of about 0.0055 cmminus;1and an absolute wavehyphen;number accuracy of the order of 0.001 cmminus;1. This spectrum is analyzed in terms of a vibrationalndash;torsional coupling Hamiltonian that allows for the calculation of the observed wave numbers within the experimental uncertainty. The following spectroscopic parameters (in cmminus;1) have been obtained: ngr;30=994.1108(10),B3A1sminus;B0=minus;0.006thinsp;165(3),B3E3dminus;B0=minus;0.006thinsp;170(2),B3E3sminus;B0=minus;0.006thinsp;184(2),B3A3dminus;B0=minus;0.006thinsp;257(2),A3A1sminus;A0=minus;0.003thinsp;037(15),A3E3dminus;A0=minus;0.003thinsp;040(12),A3E3sminus;A0=minus;0.003thinsp;054(12), andA3A3dminus;A0=minus;0.003thinsp;065(12). A strong dependence of the threefold torsional potential barrier with respect to theq3normal mode, part;V3/part;q3=minus;275.9plusmn;1.4 cmminus;1, is deduced from the present analysis.

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