Synthesis, structure and spectrum study of copper and silver complexes of pyrazole derivative

Wang, Xin-Yu, Li, Zhen, Sun, Qiao, Bai, Feng-Ying and Xing, Yong-Heng (2012) Synthesis, structure and spectrum study of copper and silver complexes of pyrazole derivative. Chinese Journal of Inorganic Chemistry, 28 3: 483-490.

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Name Description MIMEType Size Downloads
Author Wang, Xin-Yu
Li, Zhen
Sun, Qiao
Bai, Feng-Ying
Xing, Yong-Heng
Title Synthesis, structure and spectrum study of copper and silver complexes of pyrazole derivative
Formatted title
Language of Title chi
Journal name Chinese Journal of Inorganic Chemistry   Check publisher's open access policy
Language of Journal Name chi
ISSN 1001-4861
Publication date 2012-03
Sub-type Article (original research)
Volume 28
Issue 3
Start page 483
End page 490
Total pages 8
Place of publication Beijing, China
Publisher Zhongguo Huaxuehui
Collection year 2013
Language chi
Formatted abstract
Four complexes [Cu 2Cl 4pz* 2] (1), [Cu 2Cl 4(L 2) 2] (2), [CuCl(L 2) 2·H 2O]Cl·H 2O (3) and [Ag(L 3) 2]NO 3 (4) (pz*= 3,5-dimethyl-1H-pyrazole, L 2=di(1H-pyrazol-1-yl)methane, L 3=4-iodo-3,5-dimethyl-1Q-pyrazole) were designed and synthesized in the organic solvent system. The spectrum and structural characters of the four complexes were analyzed by elemental analysis, IR spectrum, UV spectrum, X-ray powder and X-ray monocrystal diffraction technology. The structural analysis shows that all pyrazolidines are in bidentate coordination mode and the coordination numbers of metal in complexes 1, 3 and 4 are five, six and two, respectively. However, there are two coordination modes for copper in complex 2. Furthermore, The stabilities and charge distribution of the three copper complexes were calculated by quantum chemistry.

在有机溶剂中,我们设计合成了4 种配合物:[Cu2Cl4pz*2] (1),[Cu2Cl4(L2)2] (2),[CuCl(L2)2H2O]Cl·H2O (3),[Ag(L3)2]NO3 (4)(pz*=
3,5-二甲基吡唑;L2=二吡唑甲烷;L3=4-碘-3,5-二甲基吡唑)。通过元素分析、红外光谱、紫外光谱、X-ray 粉末和X-ray 单晶衍射方 法对其结构进行了表征,分析了其光谱及结构特征。结构分析表明,吡唑烷均采取二齿配位模式,配合物1、3 和4 中金属的配 位数分别为五、六和二;配合物2 中则存在2 种不同配位模式的中心铜离子。并用Gaussian03 量子化学程序包,采用密度泛函 理论(DFT)中的B3LYP 方法,研究了3 个铜配合物的稳定性和电荷分布。
Keyword Copper complex
Silver complex
Pyrazole derivative
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Official 2013 Collection
Australian Institute for Bioengineering and Nanotechnology Publications
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Created: Mon, 07 May 2012, 19:11:37 EST by System User on behalf of Aust Institute for Bioengineering & Nanotechnology