Theoretical study on second-order nonlinear optical properties of substituted thiazole derivatives

Citation
Yj. Liu et al., Theoretical study on second-order nonlinear optical properties of substituted thiazole derivatives, CHIN J CHEM, 19(4), 2001, pp. 332-339
Citations number
18
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Chemistry
Journal title
CHINESE JOURNAL OF CHEMISTRY
ISSN journal
1001-604X → ACNP
Volume
19
Issue
4
Year of publication
2001
Pages
332 - 339
Database
ISI
SICI code
1001-604X(200104)19:4<332:TSOSNO>2.0.ZU;2-5
Abstract
On the basis of ZINDO program, we have designed a program to calculate the nonlinear second-order polarizability beta (ijk) and beta (mu) according to the SOS expression. The second-order nonlinear optical properties of 4-nit ro-4'-dimethylamino-stilbene and a series of its thiazole derivatives were studied. The calculated results were that: When replacing a benzene ring in 4-nitro-4'-dimethylamino-stilbene by a thiazole ring, the influence on bet a values depends on the position of thiazole ring. When the thiazole ring c onnects with nitro group (acceptor), the beta values increase significantly compared with corresponding stilbene derivatives. The beta values of 2-(p- donor-beta -styryl)-5-nitro-thiazole derivatives (2-7) are larger than thos e of 2-(p-nitro-beta -styryl)-5-donor-thiazole derivatives (8-13) and 2-(p- donor-phenyl)-azo-5-nitro-thiazole derivatives (14-19). The 2-(p-donor-beta -styryl)-5-nitro-thiazole derivatives (2-7) are good candidates as chromop hores duo to their high nonlinearities and potential good thermal stability .