INVESTIGATION OF BASIC RELATIONSHIPS IN SPECTRAL MANIFESTATIONS OF VIBRATIONS OF INDANTHRONE MOLECULE

Authors
GRIBOV LA ZUBKOVA OB SIGAREV AA BYKOV VA
Citation
La. Gribov et al., INVESTIGATION OF BASIC RELATIONSHIPS IN SPECTRAL MANIFESTATIONS OF VIBRATIONS OF INDANTHRONE MOLECULE, Journal of structural chemistry, 34(1), 1993, pp. 155-163
Citations number
7
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
34
Issue
1
Year of publication
1993
Pages
155 - 163
Database
ISI
SICI code
0022-4766(1993)34:1<155:IOBRIS>2.0.ZU;2-J
Abstract
The experimental spectrum of the indanthrone molecule has been interpr eted theoretically. The calculation of vibration frequencies and inten sities and the construction of the theoretical spectral curve were per formed by means of a fragment method. The set of parameters obtained f or the model of the indanthrone molecule provides an adequate reflecti on of features of spectral manifestations of the experiment, and also intramolecular interactions in the real molecular structure. A clear-c ut spectrum-structure correlation is revealed.