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C—H···O hydrogen bonds in liquid cyclohexanone revealed by the νCO splitting and the νC–H blue shift
Author(s) -
Vaz Pedro D.,
RibeiroClaro Paulo J. A.
Publication year - 2003
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1066
Subject(s) - cyclohexanone , chemistry , raman spectroscopy , hydrogen bond , blueshift , solvent , crystallography , hydrogen , analytical chemistry (journal) , stereochemistry , molecule , organic chemistry , materials science , catalysis , optics , photoluminescence , physics , optoelectronics
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 νCO 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.