Spectroscopic investigations of Cyclopropanecarboxylic 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
Email:- cyphyp@rediffmail.com
The infrared spectrum and Raman spectrum of cyclopropa-necarboxylic acid were recorded and analysed. Geometry and harmonic vibrational frequencies were calculated theoretically using Gaussian03 set of quantum chemistry codes. Calculations were performed at the Hartree-Fock and DFT level 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. Calculated infrared intensities, Raman activities and first hyperpolarizability are reported. The calculated first hyperpolarizability is high and the title compound may be an attractive object for further studies on non linear optics.
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SHEENA MARY Y1, HEMA TRESA VARGHESE1, C. YOHANNAN PANICKER2* and M. ABDUL SALIM2 , "Spectroscopic investigations of Cyclopropanecarboxylic acid ", Journal of Ultra Scientist of Physical Sciences, Volume 23, Issue 3, Page Number 616-620, 2016Copy the following to cite this URL:
SHEENA MARY Y1, HEMA TRESA VARGHESE1, C. YOHANNAN PANICKER2* and M. ABDUL SALIM2 , "Spectroscopic investigations of Cyclopropanecarboxylic acid ", Journal of Ultra Scientist of Physical Sciences, Volume 23, Issue 3, Page Number 616-620, 2016Available from: http://ultraphysicalsciences.org/paper/657/
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