Ab Initio Hartree-Fock Calculations of N-(2-Chlorophenyl-)-(1-Propanamide)
C.Yohannan Panicker1*, M.Abdul Salim1 and Hema Tresa Varghese2
1Department of Physics, TKM College of Arts and Science, Kollam, Kerala (India) 2Department of Physics, Fatima Mata National College, Kollam, Kerala (India)
The molecular geometry and vibrational waves of N-(2-Chlorophenyl)-(1-Propanamide) have been calculated using the Hartree-Fock method with 6-31G* basis set. The assignments of the bands were made on the basis of available literature. Predicted Infrared intensities, Raman activities, force constants, polarization ratios are reported.
KEYWORDS:Propanamide; Hartree-Fock; Vibrational assignment
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| Copy the following to cite this article: Panicker C. Y, Salim M. A, Varghese H. T. Ab Initio Hartree-Fock Calculations of N-(2-Chlorophenyl-)-(1-Propanamide). Orient J Chem 2007;23(3). |
| Copy the following to cite this URL: Panicker C. Y, Salim M. A, Varghese H. T. Ab Initio Hartree-Fock Calculations of N-(2-Chlorophenyl-)-(1-Propanamide). Orient J Chem 2007;23(3). Available from: http://www.orientjchem.org/?p=20480 |
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