Vibrational spectra of 2-cyclohexen-1-one and its 2,6,6-d(3) isotopomer Academic Article

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.

authors

• Laane, Jaan

published proceedings

• JOURNAL OF MOLECULAR STRUCTURE

author list (cited authors)

• Rishard, M., & Laane, J.

citation count

• 3

complete list of authors

• Rishard, Mohamed ZM||Laane, Jaan

publication date

• July 2010

publisher

• Elsevier  Publisher

published in

• JOURNAL OF MOLECULAR STRUCTURE  Journal

keywords

• 2-cyclohexen-1-one
• DFT Calculations
• Infrared
• Raman
• Vibrational Assignment

Digital Object Identifier (DOI)

• 10.1016/j.molstruc.2009.10.010

start page

• 56

end page

• 60

volume

• 976

issue

• 1-3

URL

• http://dx.doi.org/10.1016/j.molstruc.2009.10.010