Theoretical study on second-order nonlinear optical properties of 1,10-phenanthroline Ru(II) comple

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动态一系列 1,10-phenanthroline Ru (II ) 建筑群的第一 hyperpolarizabilities 用密度被执行功能的理论(DFT ) 。结果显示这些建筑群有大秒顺序非线性光(NLO ) 回答。特殊,复杂 6b 有一最大第一 hyperpolarizability 小孩价值。第一 hyperpolarizabilities 能被改变辅助 ligand 调节,介绍 phenanthroline 上的电子领受人组 NO2 或增加的变化形式。吸收系列上的计算证明在系列的建筑群的秒顺序
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