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| 吡唑衍生物的铜和银配合物的合成、结构及光谱研究 | |
| 引用本文： | 王欣羽,李 桢,孙 巧,白凤英,邢永恒.吡唑衍生物的铜和银配合物的合成、结构及光谱研究[J].无机化学学报,2012,28(3):483-490. |
| 作者姓名： | 王欣羽 李 桢 孙 巧 白凤英 邢永恒 |
| 作者单位： | 1. 辽宁师范大学化学化工学院,大连,116029 2. 昆士兰大学生物工程及纳米科技学院功能纳米材料研究中心,布里斯班4072,澳大利亚 3. 昆士兰大学生物工程及纳米科技学院计算分子科学研究中心,布里斯班4072,澳大利亚 4. 辽宁师范大学生命科学学院,大连,116029 |
| 基金项目： | 国家自然科学基金(No.21071071)资助项目 |
| 摘 要： | 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。 |
| 关 键 词： | 铜配合物 银配合物 吡唑衍生物 合成 结构 光谱 |
Synthesis, Structure and Spectrum Study of Copper and Silver Complexes of Pyrazole Derivative |
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| WANG Xin-Yu,LI Zhen,SUN Qiao,BAI Feng-Ying and XING Yong-Heng.Synthesis, Structure and Spectrum Study of Copper and Silver Complexes of Pyrazole Derivative[J].Chinese Journal of Inorganic Chemistry,2012,28(3):483-490. | |
| Authors: | WANG Xin-Yu LI Zhen SUN Qiao BAI Feng-Ying and XING Yong-Heng |
| Institution: | College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, Liaoning 116029, China,ARC Centre of Excellence for Functional Nanomaterials, Australian Institute for Bioengineering and Nanotechnology, The University of Queensland, Brisbane 4072, Austrilia,Centre for Computational Molecular Science, Australian Institute for Bioengineering and Nanotechnology, The University of Queensland, Brisbane 4072, Austrilia,College of Life science, Liaoning Normal University, Dalian, Liaoning 116029, China and College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, Liaoning 116029, China |
| Abstract: | Four complexes Cu2Cl4pz*2] (1), Cu2Cl4(L2)2] (2), CuCl(L2)2·H2O]Cl·H2O (3) and Ag(L3)2]NO3 (4) (pz*=3,5-dimethyl-1H-pyrazole, L2=di(1H-pyrazol-1-yl)methane, L3=4-iodo-3,5-dimethyl-1H-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. CCDC: 833603, 2; 833604, 4. |
| Keywords: | copper complex silver complex pyrazole derivative synthesis structure spectrum |
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