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Hydrothermal Synthesis,Crystal Structure,Spectrum Properties and Quantum Chemical Calculation of a Trinuclear Copper(Ⅱ) Complex with 3-(Pyridin-2-yl)-1,2,4-triazole

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成果类型:
期刊论文
作者:
Li Chang-Hong*;Li Wei;Li Yu-Lin;Yang Ying-Qun
通讯作者:
Li Chang-Hong
作者机构:
[Li Chang-Hong] Hunan Inst Technol, Dept Mat & Chem Engn, Hengyang 421002, Peoples R China.
[Li Yu-Lin; Yang Ying-Qun; Li Wei] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
通讯机构:
[Li Chang-Hong] H
Hunan Inst Technol, Dept Mat & Chem Engn, Hengyang 421002, Peoples R China.
语种:
英文
关键词:
trinuclear copper complex;hydrothermal synthesis;spectrum properties quantum chemical calculation
关键词(中文):
三核铜配合物;量子化学计算;水热合成;晶体结构;光谱性质;吡啶;***;分子结构
期刊:
Chinese Journal of Structural Chemistry
ISSN:
0254-5861
年:
2012
卷:
31
期:
8
页码:
1089-1094
基金类别:
Natural Science Foundation of Hunan ProvinceNatural Science Foundation of Hunan Province [11JJ9006]; Science and Technology Committee of Hunan Province [2012WK3029]
机构署名:
本校为其他机构
院系归属:
化学与材料科学学院
摘要:
A three-dimensional framework copper(Ⅱ) coordination polymer with copper carbonate basic and 3-(pyridin-2-yl)-1,2,4-triazole (Hpt) has been hydrothemally synthesized.The complex (2,C14 H10 CuN8 ·3H2 O) crystallizes in tetragonal,space group P4 2 /n,a=2.08581(12),b=2.08581(12),c=0.72331(4) nm,M r=761.73,V=3.1468(3) nm 3,Dc=1.608 g/cm 3,Z=4,F(000)=1552,GOOF=1.07,R=0.0515 and wR=0.1689.Every asymmetric unit molecular structure of the complex is composed with one copper ion,one and half water molecules and two Hpt molecules.Each...

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