FT‐IR, FT‐Raman and DFT calculations of the salicylanilide derivate 4‐chloro‐2‐(4‐bromophenylcarbamoyl)phenyl acetate

Tresa Varghese, Hema; Yohannan Panicker, C.; Madhavan, V.; Mathew, Samuel; Vinšová, Jarmila; Van Alsenoy, Christian

doi:10.1002/jrs.2265

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FT‐IR, FT‐Raman and DFT calculations of the salicylanilide derivate 4‐chloro‐2‐(4‐bromophenylcarbamoyl)phenyl acetate

Published in Journal of Raman Spectroscopy • Apr 8, 2009

Authors:

Hema Tresa Varghese

C. Yohannan Panicker

V. Madhavan

Abstract

Abstract FT‐IR and FT‐Raman spectra of 4‐chloro‐2‐(4‐bromophenylcarbamoyl)phenyl acetate were recorded and analyzed. The vibrational wavenumbers and corresponding vibrational assignments were examined theoretically using the Gaussian03 set of quantum chemistry codes. The red shift of the NH stretchi...

Subject

Hyperpolarizability

Raman spectroscopy

Chemistry

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