| 桥基原子对金属—金属作用的影响 |
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| 引用本文： | 程文旦,黄锦顺,张乾二. 桥基原子对金属—金属作用的影响[J]. 无机化学学报, 1987, 3(4): 138-142 |
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| 作者姓名： | 程文旦 黄锦顺 张乾二 |
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| 作者单位： | 福建物质结构研究所，福建物质结构研究所，厦门大学 福州，福州，教授，福建物构所兼职研究员 |
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| 摘 要： | 本文借助EHMO法得到的Mulliken集居数和经验公式,讨论了过渡金属原子簇分子构型的稳定性和桥基与金属原子形成的平面距离D对其稳定性的影响。指出可用D值与实验上得到的距离d值的差别,判断过渡金属原子簇化合物金属—金属作用的强弱。
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| 关 键 词： | 分子构型 原子簇 金属—金属作用 |
| 收稿时间： | 1986-10-27 |
INFLUENCE OF LIGAND UPON METALMETAL INTERACTION |
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| Cheng Wendan,Huang Jinshun and Zhang Qianer. INFLUENCE OF LIGAND UPON METALMETAL INTERACTION[J]. Chinese Journal of Inorganic Chemistry, 1987, 3(4): 138-142 |
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| Authors: | Cheng Wendan Huang Jinshun Zhang Qianer |
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| Affiliation: | Fujian Institute of Research on the Structure of Matter, Academic Sinica,Fujian Institute of Research on the Structure of Matter, Academic Sinica and Fujian Institute of Research on the Structure of Matter, Academic Sinica |
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| Abstract: | It has been discussed for the stabilization of the transitional metal cluster, using the Mulliken. population analysis from the EHMO's and the distance D between the bridging ligand and the plain consisting of the metal atoms from the experienced formula in this paper. It describes that the molecular conformer becomes more stabilization if the atomic charge decreases and interatomic regional charge increases at the same time; conversely, the molecular conformer becomes less stabilization. Moreover, it point out that there are three differences in the interaction between the metal atoms when the theoretical valus D, calculating by the experienced formula, is different from the experimental Value d, determining from the molecular crystal structure. |
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| Keywords: | molecular conformation cluster metal-metal interaction |
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