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Theoretical study on second‐order nonlinear optical properties of unsymmetric bis (phenylethynyl) benzene series derivatives
Author(s) -
Wei Fu,
JiKang Feng,
KunQian Yu,
AiMin Ren,
Meng Cui,
YaoXian Li,
ChiaChung Sun
Publication year - 2000
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.20000180208
Subject(s) - zindo , chemistry , nonlinear optical , benzene , series (stratigraphy) , nonlinear system , conjugated system , benzene derivatives , acceptor , nonlinear optics , order (exchange) , computational chemistry , molecule , organic chemistry , polymer , chemical synthesis , quantum mechanics , paleontology , physics , finance , economics , biology , biochemistry , in vitro
On the basis of ZINDO methods, according to the sum‐overstates (SOS) expression, the program for the calculation of the second‐order nonlinear optical susceptibilities β ijk and β μ of molecules was devised, and the structures and nonlinear optical properties of unsymmetric bis(phenylethynyl) benzene series derivatives were studied. The influence of the molecular conjugated chain lengths, the donor and the acceptor on β μ was examined.