Journal of Molecular Structure p. 51 - 60 (1982)
Update date:2022-08-11
Topics:
McKean, D. C.
Torto, I.
Infrared spectra in the CH stretching region are reported for CHD2CXO and CH3CXO compounds, where X = F, Cl, Br, I, CN, OMe, and for CHD2CD2CN and CD3CHDCN.In all the carbonyl compounds except the iodide the two out-of-plane CH bonds in the methyl group are significantly weaker than the in-plane one.Differences in CH bond length of up to 0.006 Angstroem are predicted, which are considered to be more reliable than the available microwave data.The separations of νasCH3 and νCHD2 frequencies are compatible with a strong angular asymmetry (<*>HsCHa <*> HaCHa) in the acetyl compounds.The gauche and trans effects of halogen on νisCH are similar, but larger, than those in alkyl halides.In ethyl cyanide, the methyl CH bonds are identical in strength.The α and β substituent effects from the CN group fall into no simple pattern.
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