THE FORCE-FIELD OF THE TRIAZINIC RING C3N3

Citation
A. Navarro et al., THE FORCE-FIELD OF THE TRIAZINIC RING C3N3, Vibrational spectroscopy, 13(2), 1997, pp. 187-194
Citations number
43
Categorie Soggetti
Spectroscopy,"Chemistry Analytical","Chemistry Physical
Journal title
ISSN journal
09242031
Volume
13
Issue
2
Year of publication
1997
Pages
187 - 194
Database
ISI
SICI code
0924-2031(1997)13:2<187:TFOTTR>2.0.ZU;2-M
Abstract
We have obtained a set of force constants for the symmetric triazinic ring C3N3, from data on the vibrational frequencies of the s-triazine, trifluoro-s-triazine and trichloro-s-triazine molecules. The procedur e consists on several steps of refinement, concluding with the determi nation of the force constants of the non-common part of each individua l species. The force field of the common block has been used to calcul ate the vibrational spectrum of tribromo-s-triazine, leading to satisf actory results.