FORCE-FIELDS FOR C-N-SUBSTITUTED BENZENES .2. PLANAR AND NONPLANAR MODES OF THE 3 ISOMERIC DICYANOBENZENES

Authors
SINGH DN SINGH JS YADAV RA
Citation
Dn. Singh et al., FORCE-FIELDS FOR C-N-SUBSTITUTED BENZENES .2. PLANAR AND NONPLANAR MODES OF THE 3 ISOMERIC DICYANOBENZENES, Journal of Raman spectroscopy, 28(5), 1997, pp. 355-362
Citations number
10
Categorie Soggetti
Spectroscopy
Journal title
Journal of Raman spectroscopy → ACNP
ISSN journal
03770486
Volume
28
Issue
5
Year of publication
1997
Pages
355 - 362
Database
ISI
SICI code
0377-0486(1997)28:5<355:FFCB.P>2.0.ZU;2-B
Abstract
Planar and non-planar force field calculations for o-, m- and p-dicyan obenzenes were carried out using published data on the parent molecule and one isotope in each case. General valence force fields were deter mined using 61 (43 planar and 18 non-planar), 61 (43 planar and 18 non -planar) and 58 (41 planar and 17 non-planar) parameters for the o-, m - end p-isomers respectively. It was found that the earlier proposed a ssignments for some of the wave-numbers need to be revised. (C) 1997 b y John Wiley & Sons, Ltd.