| 芳香酸酰亚胺取代邻苯二酚的金属Pt（Ⅱ）联吡啶配合物的二阶非线性光学性质 |
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| 引用本文： | 张士轩,李作盛,赵岷.芳香酸酰亚胺取代邻苯二酚的金属Pt（Ⅱ）联吡啶配合物的二阶非线性光学性质[J].渤海大学学报(自然科学版),2011,32(3):283-287. |
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| 作者姓名： | 张士轩 李作盛 赵岷 |
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| 作者单位： | 1. 辽宁工业大学士木建筑工程学院,辽宁锦州,121001
2. 渤海大学化学化工与食品安全学院,辽宁锦州,121013 |
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| 基金项目： | 辽宁省自然科学基金资助项目(No:20061073) |
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| 摘 要： | 采用量子化学DFT B3LYP／LANL2DZ＋6—31G^＊方法，对不同芳香酸酰亚胺取代邻苯二酚的金属Pt（Ⅱ）联吡啶配合物的二阶NLO性质进行了研究，结果表明：在四个配合物中，联吡啶部分和金属Pt起到提供电荷的作用，并且Pt占主导地位；而芳香酸酰亚胺取代的邻苯二酚起到吸电子作用。分子极化率与取代基R共轭体系的大小成...
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| 关 键 词： | 铂配合物 密度泛函 二阶NLO性质 |
Second- order nonlinear optical of Pt（Ⅱ） in which catechol is property for bipyridine complexes replaced by aromatic acid imide |
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| ZHANG Shi-xuan,LI Zuo-sheng,ZHAO Min.Second- order nonlinear optical of Pt（Ⅱ） in which catechol is property for bipyridine complexes replaced by aromatic acid imide[J].Journal of Bohai University:Natural Science Edition,2011,32(3):283-287. |
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| Authors: | ZHANG Shi-xuan LI Zuo-sheng ZHAO Min |
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| Institution: | ZHANG Shi-xuan1,LI Zuo-sheng2,ZHAO Min2 (1.College of Civil Construction Engineering,Liaoning University of Technology,Jinzhou 121001,China,2.College of Chemistry,Chemical Engineering and Food Safety,Jinzhou 121013,China) |
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| Abstract: | By adopting DFT B3LYP/LANL2DZ+6-31G* in quantum chemistry,the Second-order nonlinear optical property is studied for bipyridine complexes of different Pt(II) in which catechol is replaced by aromatic acid imide,and the result shows that among the 4 complexes,bipyridine and mostly Pt(II) provide electricity,whereas catechol absorbs electricity.Molecular polarizability is in proportion with the conjugated system of substituent R.By analyzing NLO effect,it is concluded that the 4 complexes are of the higher va... |
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| Keywords: | platinum complex density function second-order NLO property |
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