C—H···O hydrogen bonds in liquid cyclohexanone revealed by the νCO splitting and the νC–H blue shift

Journal of Raman Spectroscopy - Tập 34 Số 11 - Trang 863-867 - 2003
Pedro D. Vaz1, Paulo Ribeiro‐Claro1
1Departamento de Química—CICECO, Universidade de Aveiro, P-3810-193 Aveiro, Portugal

Tóm tắt

AbstractThe 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.

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Journal of Raman Spectroscopy

Tập 34 Số 11

863-867

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