Title : ( Vibrational spectra, assignments, and normal coordinate analysis of hexachloroacetone )
Authors: Sayyed Faramarz Tayyari , M. Gholamhoseinpour , S.R. Emamian ,
Full TextAbstract
The FTIR and Raman spectra of 1,1,1,3,3,3-hexachloroacetone (HCA) have been recorded. The observed frequencies were assigned to the various modes of vibrations on the basis of normal coordinate analysis, assuming C2 point group symmetry. The potential energy distribution associated with normal modes is also reported here. The fundamental vibrational frequencies calculated at the B2PLYP/6-31G(d) level agree well with the observed Raman and FTIR frequencies.
Keywords
, 1, 1, 1, 3, 3, 3-hexachloroacetone
@article{paperid:1063326,
author = {Tayyari, Sayyed Faramarz and M. Gholamhoseinpour and S.R. Emamian},
title = {Vibrational spectra, assignments, and normal coordinate analysis of hexachloroacetone},
journal = {Science Advances Today},
year = {2016},
volume = {2},
number = {1},
month = {December},
issn = {2321-2455},
pages = {1--5},
numpages = {4},
keywords = {1;1;1;3;3;3-hexachloroacetone},
}
%0 Journal Article
%T Vibrational spectra, assignments, and normal coordinate analysis of hexachloroacetone
%A Tayyari, Sayyed Faramarz
%A M. Gholamhoseinpour
%A S.R. Emamian
%J Science Advances Today
%@ 2321-2455
%D 2016
