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Vibrational spectra and structure of 1,2hyphen;difluoroethane:Gauchendash;transconformers

机译:Vibrational spectra and structure of 1,2hyphen;difluoroethane:Gauchendash;transconformers

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Infrared and laserhyphen;Raman spectra of 1,2hyphen;difluoroethane (FH2CCH2F) have been recorded from 4000 to 50 cmminus;1. Whereas the Raman spectra were measured for all three physical states, the infrared data were recorded for the gaseous and crystalline phases. Spectral transitions associated with the predominantgaucheconformer have been assigned with confidence on the basis of clearly defined infrared band contours and Raman depolarization ratios. Although several fundamentals have also been assigned fortranshyphen;1,2hyphen;difluoroethane, the majority of the normal modes associated withtranshyphen;C2F2H4appear to be unresolved or coincident with bands assigned togauchehyphen;C2F2H4. The magnitude of Dgr;Hseparating the two conformers was determined to be 1.98plusmn;0.08 kcal/mole by measuring the temperature dependence of the Raman bands assigned to the Fndash;Cndash;Cndash;F bending modes forgauche(503 cmminus;1) andtrans(461 cmminus;1) C2F2H4, respectively. An overall potential function describing the torsional barriers and Dgr;Hwill be discussed on the basis of the variable temperature data and the low frequency torsional transitions. The present study is consistent with an earlier electron diffraction study but disagrees with the conclusions advanced in a previous vibrational investigation of C2F2H4. These results will be reviewed in detail since the existent data is consistent with a predominantgaucheconformer.

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