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Vibrational Analysis of Some Substituted Methylbenzenes Part II. Transferability of Force Constants-The Case of Tetra-, Tri-methylbenzenes and Nitro-para-toluidine.

Authors :
Reddy, B. Venkatram
Ojha, Jai Kishan
Rao, G. Ramana
Source :
AIP Conference Proceedings. 10/20/2011, Vol. 1391 Issue 1, p472-476. 5p. 1 Chart.
Publication Year :
2011

Abstract

A zero-order normal coordinate analysis was made for 1,2,3,4-, 1,2,3,5-, 1,2,4,5-tetramethylbenzene, 1,2,3-trimethylbenzene and 2-nitro-para-toluidine by transferring the force constants from our earlier work. The observed and calculated frequencies agree with an average error of 16.4 cm-1. On the basis of the results obtained Unambiguous vibrational assignments of fundamentals of the five molecules have been made using the potential energy distributions and eigen vectors and several assignments suggested by earlier workers have been revised. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
0094243X
Volume :
1391
Issue :
1
Database :
Academic Search Index
Journal :
AIP Conference Proceedings
Publication Type :
Conference
Accession number :
66789447
Full Text :
https://doi.org/10.1063/1.3643583