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Theoretical study on second-order nonlinear optical properties of unsymmetric bis (phenylethynyl) benzene series derivatives |
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| Authors: | FU Wei FENG Ji-Kang YU Kun-Qian REN Ai-MinCUI Meng LI Yao-Xian SUN Chia-ChungNational Laboratory of Theoretical and Computational Chemistry |
| Institution: | FU,Wei FENG,Ji-Kang YU,Kun-Qian REN,Ai-MinCUI,Meng LI,Yao-Xian SUN,Chia-ChungNational Laboratory of Theoretical and Computational Chemistry,Institute of Theoretical Chemistry,Department of Chemistry,Jilin University,Changchun,Jilin 130023,China |
| Abstract: | 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 βijk and βμ 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 βμ was examined. |
| Keywords: | Unsymmetric bis ( phenylethynyl) benzene series derivatives second-order nonlinear optical susceptibility ZINDOSOS |
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