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Citation: CHEN Hu, XU Xing-You, GAO Jian, YANG Xu-Jie, LU Lu-De, WANG Xin. Study on Crystal Structure of [Ni(phen)₃](ClO₄)₂[J]. Acta Physico-Chimica Sinica, ;2006, 22(07): 856-859. doi: 10.3866/PKU.WHXB20060717 shu

Study on Crystal Structure of [Ni(phen)₃](ClO₄)₂

1.
Materials Chemistry Laboratory, Nanjing University of Science and Technology, Nanjing 210094, P. R. China; Department of Chemical Engineering, Huahai Institute of Technology, Lianyungang 222005, P. R. China

Received Date: 17 December 2005
Available Online: 27 June 2006

A new complex [Ni(phen)3](ClO4)2 was synthesized by transition metal Ni2+ with phen(1,10-phenanthroline). The crystal structure of the complex was determined by X-ray diffraction. The complex crystalizes in monoclinic system, space group P21/n with a=0.9388(2) nm, b=3.0139(5) nm, c=1.2974(2) nm, β=111.054(3)º, V=3.426(1) nm3. Quantum chemistry calculation was performed to the complex by using semi-empirical method with ZINDO/1 of hyperchem 7.0 program package. The optimized structure has been investigated. Atomic charge distribution results provided a od testimony for the coordination condition in the crystal structure.
- Mononuclear nickel complex;Crystal structure;IR spectrum;Quantum chemistry calculation
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沈阳化工大学材料科学与工程学院沈阳 110142

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Study on Crystal Structure of [Ni(phen)3](ClO4)2

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通讯作者: 陈斌, bchen63@163.com

Study on Crystal Structure of [Ni(phen)₃](ClO₄)₂