Spectroscopic investigations and computational study of 2-[acetyl(4-bromophenyl)carbamoyl]-4-chlorophenyl acetate (pages 707–716)
C. Yohannan Panicker, Hema Tresa Varghese, K. C. Mariamma, Koshy John, Samuel Mathew, Jarmila Vinsova, Christian Van Alsenoy and Y. Sheena Mary
Article first published online: 6 OCT 2009 | DOI: 10.1002/jrs.2492
FT-Raman and FT-IR spectra of 2-[acetyl(4-bromophenyl) carbamoyl]-4-chlorophenyl acetate were recorded and analyzed. The vibrational wavenumbers of the title compound have been computed using the Gaussian03 software at different levels and compared with the experimental data. The simultaneous IR and Raman activations of the CO stretching mode in the carbamoyl moiety show a charge transfer interaction through a π-conjugated path. The assignments of the normal modes are done by potential energy distribution (PED) calculations.