Title : ( NORMAL COORDINATE ANALYSIS AND VIBRATIONAL ASSIGNMENTS FOR PYRIDINE AND ITS DEUTERATED DERIVATIVES )
Authors: be be amineh omidvar , Mohamad Vakili , Sayyed Faramarz Tayyari ,
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Abstract
Pyridine and its derivative compounds have been extensively studied from the spectroscopic point of view, mainly due to its presence in many chemicals of high interest in a variety of biomedical and industrial fields. The vibrational spectra of pyridine and its derivatives have been considered by several groups [1-13] and many discrepancies have been reported. The aim of the present work is a new normal coordinate analysis based on the B3LYP/6-311++G** calculation to shed light on the discrepancies between reported assignments. In addition, to make an unambiguous assignment, anharmonic vibrational frequencies were also calculated at the same level of theory.
Keywords
, NORMAL COORDINATE ANALYSIS, VIBRATIONAL ASSIGNMENTS, PYRIDINE
@inproceedings{paperid:1055458,
author = {Omidvar, Be Be Amineh and Vakili, Mohamad and Tayyari, Sayyed Faramarz},
title = {NORMAL COORDINATE ANALYSIS AND VIBRATIONAL ASSIGNMENTS FOR PYRIDINE AND ITS DEUTERATED DERIVATIVES},
booktitle = {18th Iranian Physical Chemistry Conference},
year = {2016},
location = {کیش, IRAN},
keywords = {NORMAL COORDINATE ANALYSIS; VIBRATIONAL ASSIGNMENTS; PYRIDINE},
}
%0 Conference Proceedings
%T NORMAL COORDINATE ANALYSIS AND VIBRATIONAL ASSIGNMENTS FOR PYRIDINE AND ITS DEUTERATED DERIVATIVES
%A Omidvar, Be Be Amineh
%A Vakili, Mohamad
%A Tayyari, Sayyed Faramarz
%J 18th Iranian Physical Chemistry Conference
%D 2016
