Title : ( On the reassignment of Vibrational frequencies of Malonaldehyde )
Authors: Sayyed Faramarz Tayyari , Ferydoon Milani-Nejad ,
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Abstract
Vibrational frequencies of malonaldehyde and two of its deuterated isotopes have been reassigned with the aid of theoretical frequencies at MP2:6-31G*::MP2:6-31G* level with augmented diffused and polarized functions on the hydrogen bonded proton. By normal mode analysis using the cartesian force constants from ab initio calculations and from the comparison of the calculated and observed intensities a new assignment has been suggested for malonaldehyde and its deuterated isotopes. © 1998 Elsevier Science B.V. All rights re erved.
Keywords
Deuterated isotopes; Malonaldehyde; Vibrational frequencies
@article{paperid:1010864,
author = {Tayyari, Sayyed Faramarz and Ferydoon Milani-Nejad},
title = {On the reassignment of Vibrational frequencies of Malonaldehyde},
journal = {Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy},
year = {1998},
volume = {54},
month = {February},
issn = {1386-1425},
pages = {255--263},
numpages = {8},
keywords = {Deuterated isotopes; Malonaldehyde; Vibrational frequencies},
}
%0 Journal Article
%T On the reassignment of Vibrational frequencies of Malonaldehyde
%A Tayyari, Sayyed Faramarz
%A Ferydoon Milani-Nejad
%J Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
%@ 1386-1425
%D 1998
