PHYSICOCHEMICAL PROPERTIES AND ELECTRONIC-STRUCTURE OF IMETHYL-8,9,10,11-TETRAHYDROBENZ[A]ACRIDIN-11-ONES AND IMETHYL-8,9,10,11-TETRAHYDROBENZ[A]ACRIDIN-11-ONES

Authors
MARTINEZ R RUBIO MF TOXQUI A CETINA R
Citation
R. Martinez et al., PHYSICOCHEMICAL PROPERTIES AND ELECTRONIC-STRUCTURE OF IMETHYL-8,9,10,11-TETRAHYDROBENZ[A]ACRIDIN-11-ONES AND IMETHYL-8,9,10,11-TETRAHYDROBENZ[A]ACRIDIN-11-ONES, Anales de quimica, 92(3), 1996, pp. 167-170
Citations number
14
Categorie Soggetti
Chemistry
Journal title
Anales de quimica → ACNP
ISSN journal
11302283
Volume
92
Issue
3
Year of publication
1996
Pages
167 - 170
Database
ISI
SICI code
1130-2283(1996)92:3<167:PPAEOI>2.0.ZU;2-D
Abstract
MMX and AM1 calculations have been carried out on eleven 12-(ortho- an d dimethyl-8,9,10,11-tetrahydrobenz[a]acridin-11ones in order to get t heir physicochemical properties and electronic structure. The calculat ed geometry agrees with experimental data of similar molecules and the bond orders also agree with the primary fragmentation pattern of thei r mass spectra. Likewise a linear relationship between the Hammett-sig ma, the electronic affinity and the ionization potential was found.