C-H ⋯ O hydrogen bonds in liquid cyclohexanone revealed by the νC = O splitting and the νC-H blue shift

Abstract

The presence of C-H ⋯ O hydrogen bonds in liquid cyclohexanone is concluded from a combined theoretical and vibrational spectroscopic study. The two bands present in the νC=O region, clearly observed in the Raman spectrum, are assigned to 'free' and 'bonded' carbonyl groups from their temperature-dependent and solvent-dependent relative intensities. In addition, a band exhibiting the same intensity dependence in the νC-H region is tentatively assigned to the blue-shifted νC-H⋯(O) mode. Copyright © 2003 John Wiley & Sons, Ltd.