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Citation: Zheng Kang-Cheng, Kuang Dai-Bin, Wang Ju-Ping, Shen Yong. Electronic Structure and Related Chemical Properties of Complexes M(bpy)²⁺₃(M=Fe,Ru,Os)[J]. Acta Physico-Chimica Sinica, ;2000, 16(07): 608-612. doi: 10.3866/PKU.WHXB20000707 shu

Electronic Structure and Related Chemical Properties of Complexes M(bpy)²⁺₃(M=Fe,Ru,Os)

1.
School of Chemistry and Chemical Engineering,Zhongshan University,Guangzhou 510275

Received Date: 12 October 1999
Available Online: 15 July 2000

Theoretical studies on a series of complexes M(bpy)32+ (M=Fe, Ru, Os) are carried out with DFT method at B3LYP/LanL2DZ level .The electronic structure and related chemical properties of complexes M(bpy)32+,in particular, the regularities of the centre atomic effects on coordination bond lengths, spectroscopical properties, atomic net charge populations and the chemical stabilities of M(bpy)32+,have been investigated. The results obtained may be useful as references for the synthesis of the complexes, the mechanism analysis on photochemistry, electrochemistry and catalysis chemistry of the complexes, etc.
- 2,2-bipyridine(bpy),
- Ru(II)bipyriding complex,
- Photochemistry,
- Electrochemistry,
- DFT method
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Electronic Structure and Related Chemical Properties of Complexes M(bpy)2+3(M=Fe,Ru,Os)

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通讯作者: 陈斌, bchen63@163.com

Electronic Structure and Related Chemical Properties of Complexes M(bpy)²⁺₃(M=Fe,Ru,Os)