Abstract
The applicability of a previously developed model on five saturated alcohols, for the calculation of the ν OH gas frequency has been tested for the rotamers in equatorial and axial cyclohexanol and 1-methyl-cyclohexanol. Not only the ν OH differences between the various rotamers are reasonably well predicted, but also the absolute values of the frequencies. Further analysis of the results suggests that the model is suitable at least to calculate the ν OH frequency difference between the corresponding rotamers of secondary and tertiary cyclohexyl alcohols.
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