Spectroscopic investigations of 3-cyclohexene-1-carboxylic acid
1Department of Physics, Fatima Mata National College, Kollam-1 Kerala India
2Department of Physics, TKM College of Arts and College, Kollam-5 Kerala India
3Department of Physics, St Thomas College, Thrissur College, Thrissur Kerala India
Email:- cyphyp@rediffmail.com
The IR and Raman spectra of 3-cyclohexene-1-carboxylic acid have been recorded and analyzed. Geometry and harmonic vibrational wavenumbers were calculated theoretically using Gaussian03 software package. Calculations were performed at the Hartree-Fock and DFT levels of theory using the standard 6-31G* basis. The calculated wavenumbers (B3LYP) agree well with the observed wavenumbers. The data obtained from vibrational wavenumber calculations are used to assign vibrational bands found in the IR and Raman spectra of the studied molecule. The calculated first hyperpolarizability is very high and the studied molecule may be an attractive object for further studies on non linear optics. The predicted infrared intensities and Raman activities are reported.
Copy the following to cite this article:
Y.SHEENA MARY1, HEMA TRESA VARGHESE1, C. YOHANNAN PANICKERa2, T.G. MARY GENIA3 and P.L. ANTO3 , "Spectroscopic investigations of 3-cyclohexene-1-carboxylic acid ", Journal of Ultra Scientist of Physical Sciences, Volume 23, Issue 3, Page Number 525-530, 2016Copy the following to cite this URL:
Y.SHEENA MARY1, HEMA TRESA VARGHESE1, C. YOHANNAN PANICKERa2, T.G. MARY GENIA3 and P.L. ANTO3 , "Spectroscopic investigations of 3-cyclohexene-1-carboxylic acid ", Journal of Ultra Scientist of Physical Sciences, Volume 23, Issue 3, Page Number 525-530, 2016Available from: http://www.ultraphysicalsciences.org/paper/647/
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