EXCITED-STATES DIPOLE-MOMENTS FROM SOLVENT SHIFT METHODS AND MO CALCULATIONS

Citation
A. Ghaith et al., EXCITED-STATES DIPOLE-MOMENTS FROM SOLVENT SHIFT METHODS AND MO CALCULATIONS, Afinidad, 52(455), 1995, pp. 25-30
Citations number
45
Categorie Soggetti
Chemistry
Journal title
ISSN journal
00019704
Volume
52
Issue
455
Year of publication
1995
Pages
25 - 30
Database
ISI
SICI code
0001-9704(1995)52:455<25:EDFSSM>2.0.ZU;2-9
Abstract
Different equations expressing the solvent spectral shifts in terms of different solvent polarity parameters have been used to calculate the dipole moments of the (1)L(a) and (1)L(b) excited states of some halo anilines. PPP and CNDO/S calculations of excited states dipole moments have been also performed and compared with the solvent shift results.