Molecular orbital calculations and physical properties of 1,4-benzothiazino[2,3-b]phenothiazine and its substituted derivatives.

Authors
Silberg, IA Silaghi-Dumitrescu, I Cristea, C Tordo, P Gigmes, D
Citation
Ia. Silberg et al., Molecular orbital calculations and physical properties of 1,4-benzothiazino[2,3-b]phenothiazine and its substituted derivatives., HETEROCYC C, 5(2), 1999, pp. 147-150
Citations number
1
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
HETEROCYCLIC COMMUNICATIONS
ISSN journal
07930283 → ACNP
Volume
5
Issue
2
Year of publication
1999
Pages
147 - 150
Database
ISI
SICI code
0793-0283(1999)5:2<147:MOCAPP>2.0.ZU;2-T
Abstract
Synthesis of 12H,14H-3,9-dimethyl-5,7-dithia-12,14-diazapentacene 2 and mol ecular orbital calculations for 1,4-benzothiazino[2,3-b]phenothiazine 1 (pa rent heterocycle), its methylated derivative 2 and its dibenzoderivative 16 H,18H-dibenzo[c,l]-7,9-dithia-16,18-diazapentacene 3, are described. Spectr al properties (UV-VIS, NMR and ESR spectra) showed good agreement with the theoretical calculations.