| DFT study on second-order nonlinear optical properties of Pt (Ⅱ) complexes with different chromophores |
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| 基金项目： | Supported by Program for Changjiang Scholars and Innovative Research Team in University, the Foundation of Jilin Provincial Excellent Youth (Grant No. 20050107);;Youth Science Foundation of Northeast Normal University (Grant No. 111494117) |
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| 摘 要： | DFT B3LYP/LANL2DZ method was employed to calculate electron properties and the second-order nonlinear optical(NLO) respond of platinum(Ⅱ) complexes which have been synthesized by Weinstein group.4,7-diphenyl-1,10-phenanthroline shows the ability to push electron in these complexes.Metal Pt plays a balancing charge role.Comparing complex 1b-6b with complex a,the βvec value of complex 1b-5b is larger than one of complex a,while the βvec value of complex 6b is smaller than one of com-plex a.In these seven comp...
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| 关 键 词： | Pt（Ⅱ） complex DFT chromophore second-order NLO property |
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