| β-戊二酮缩N,N-二乙基乙二胺的Cu(Ⅱ)金属配合物的合成、表征及结构分析 |
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| 引用本文： | 赵庆,曹维良,杨作银,张敬畅.β-戊二酮缩N,N-二乙基乙二胺的Cu(Ⅱ)金属配合物的合成、表征及结构分析[J].北京化工大学学报(自然科学版),2005,32(6):68-71. |
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| 作者姓名： | 赵庆 曹维良 杨作银 张敬畅 |
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| 作者单位： | 北京化工大学理学院，北京 100029 |
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| 摘 要： | β-戊二酮和N,N-二乙基乙二胺作原料，在甲苯溶液中通过甲苯和水共沸原理，合成了β-戊二酮缩N,N-二乙基乙二胺席夫碱配体，通过加入过量的无水CuCl2与该配体合成了一种新的Cu(Ⅱ)配合物Et2NCH2CH2NC(Me)CHC(Me)O]CuCl。用元素分析、核磁共振和红外光谱对合成的配体及配合物进行表征。采用局域自旋密度近似的DFT方法优化了配体和配合物最稳定的几何构型，计算得到了红外光谱图，并与实验结果进行了比较。
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| 关 键 词： | β-戊二酮 N N-二乙基乙二胺 配合物 量子化学计算 β-戊二酮 N N-二乙基乙二胺 配合物 量子化学计算 |
| 收稿时间： | 2004-12-23 |
| 修稿时间： | 2004年12月23日 |
Synthesis, characterization and structure determination of a novel LCuX compounds coordinated by the β-diketiminato ligand [L = Et2NCH2CH2NC(Me)CHC(Me)O, X = Cl] |
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| ZHAO Qing,CAO Wei-liang,YANG Zuo-ying,ZHANG Jing-chang.Synthesis, characterization and structure determination of a novel LCuX compounds coordinated by the β-diketiminato ligand [L = Et2NCH2CH2NC(Me)CHC(Me)O, X = Cl][J].Journal of Beijing University of Chemical Technology,2005,32(6):68-71. |
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| Authors: | ZHAO Qing CAO Wei-liang YANG Zuo-ying ZHANG Jing-chang |
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| Institution: | College of Science, Beijing University of Chemical Technology, Beijing 1 00029, China |
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| Abstract: | A novel LCuX L=Et2NCH2CH2NC(Me)CHC(Me)O, X=Cl] compound was coordinated by the β-diketiminato ligand and plenty of drying CuCl2, and characterized by elemental analysis, NMR and infrared spectra techniques. Such β-dike timinato ligand was prepared in a toluene solvent in light of the theory of co-boiling of oil and water. The geometries of the ligand and the complex were optimi zed in terms of the DFT method, a Local Spin Density Approximation Calculations. The IR spectra were also calculated and compared with the experimental data. And the results are reasonable. |
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| Keywords: | β-diketiminato N N-diethyl-ethylenediamine coordination compound quantum chemical calculation |
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