Acta Phys. -Chim. Sin. ›› 2001, Vol. 17 ›› Issue (01): 43-47.doi: 10.3866/PKU.WHXB20010109
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Zheng Kang-Cheng;Kuang Dai-Bin;Shen Yong;Wang Ju-Ping
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Abstract: Studies on the complex and its 4,4′disubstituted derivates on one bpy are carried out by using DFT method at B3LYP/LanL2DZ level. The regularities of the substituent effects of stronger electronpushing group (-OCH3)and stronger electrondrawing group (-NO2) on affecting the electronic structure and its related properties, e.g., the coordination bond lengths and the spectroscopy properties, etc., have been investigated. The results obtained may be useful as references for the synthesis of the complexes, the mechanism analysis on photochemistry , electrochemistry, catalysischemistry and biochemistry of the complexes , etc.
Key words: 2,2′-bipyridine(bpy), Ru(II) bipyridine complex, Photochemistry, Electrochemistry, DFT method
Zheng Kang-Cheng;Kuang Dai-Bin;Shen Yong;Wang Ju-Ping. Ru(bpy)2+3 and its Di-substituted Effects of the One bpy[J].Acta Phys. -Chim. Sin., 2001, 17(01): 43-47.
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URL: http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB20010109
http://www.whxb.pku.edu.cn/EN/Y2001/V17/I01/43
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