Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy p. 435 - 450 (1985)
Update date:2022-08-11
Topics:
McKean, D. C.
MacKenzie, M. W.
Morrisson, A. R.
Lavalley,J. C.
Janin, A.
et al.
Infrared and Raman spectra have been obtained from 11 isotopomers of cis and trans but-2-enes in various phases (c- and t-CH3CHCHCH3, CH3CHCDCH3, CD3CHCHCD3, CD3CHCDCD3, CD3CDCDCD3; c-CH3CDCDCH3).Nearly all the fundamentals are securely assigned.Isolated CH stretching frequencies νisCH are observed or deduced from the spectra and used to predict CH bond lenghts and dissociation energies.The olefinic CH and methyl CHs bonds are stronger in the cis compound than those in the trans, in keeping with substituent effects previously observed in propene, and with molecular mechanics predictions.Comparison of νisCH values with local mode fifth overtone spectra for cis-CH3-CH=CH-CH3 indicates that the part of the latter associated with the CHa bond cannot be readily interpreted.
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