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|Title:||Fourier transform infrared spectrum and normal coordinate analysis of chloroxylenol|
|Keywords:||Fourier transform infrared spectrum;Normal coordinate analysis;Chloroxylenol;Potential energy distribution|
|Abstract:||Chloroxylenol is one or the important antiseptic with the molecular formula C8H9CIO A normal coordinate analysis has been carried out for chloroxylenol for the first time with a systematic set or symmetry coordinates following Wilsan's F-G matrix method based on Cs point group symmetry. The frequency assignments for the bands in the Fourier transrorm infrared spectrum of chloroxylenol have been presented. A reasonable set of potential constants evaluated for this molecule is round to be in good agreement with literature values for similar compounds. To check whether the chosen set or vibrational frequencies con tribute maximum to the normal modes or vibration or the molecule, the potential energy distribution has been evaluated. The potential energy distribution values obtained reflect the correctness or the assignments made.|
|ISSN:||0975-1041 (Online); 0019-5596 (Print)|
|Appears in Collections:||IJPAP Vol.41(11) [November 2003]|
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