Vibrational spectra of 2-cyclohexen-1-one and its 2,6,6-d(3) isotopomer
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abstract
The infrared and Raman spectra of 2-cyclohexen-1-one and its 2,6,6-d3 isotopomer in their liquid and vapor phases have been recorded and a complete vibrational assignment was carried out. DFT theoretical calculations were carried out to predict the vibrational frequencies and the agreement is excellent. 2009 Elsevier B.V. All rights reserved.