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Second‐order Nonlinear Optical Properties of a Series of Benzothiazole Derivatives
Author(s) -
XiaoJuan Liu,
JiKang Feng,
AiMin Ren,
Xin Zhou,
WeiNan Leng
Publication year - 2003
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.20030210105
Subject(s) - benzothiazole , chemistry , chromophore , nitrobenzene , zindo , acceptor , molecule , photochemistry , nonlinear optical , combinatorial chemistry , computational chemistry , organic chemistry , nonlinear system , physics , condensed matter physics , catalysis , quantum mechanics
The second‐order nonlinear optical (NLO) properties of a series of benzothiazole derivatives were studied by use of the ZINDO‐SOS method. These chromophores are formed by a donor‐π‐bridge‐acceptor system, based on a nitro group connected with benzothiazole as the acceptor and a hydroxyl‐functional amino group as the donor. For the purpose of comparison, we also designed molecules in which nitrobenzene is an acceptor. The calculation results indicate that benzothiazole derivatives exhibit larger second‐order polarizabilities than nitrobenzene derivatives. In order to clarify the origin of the NLO response of these chromophores, their electron properties were investigated as well. The benzothiazole derivatives are good candidates for application in electro‐optical device due to their high optical nonlinearities, good thermal and photonic stability.