| 一种新颖有机/无机杂化配位聚合物[(C7H18N)(Ag2I3)]n的合成、结构及量子化学计算(英) |
| Novel Inorganic-Organic Hybrid Coordination Polymer [(C7H18N)(Ag2I3)]n: Synthesis, Crystallographic Structure and Quantum Chemistry Calculation |
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| 摘要: |
| 关键词: 有机/无机杂化 模板合成 碘化银 量子化学计算 |
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| Abstract: A one dimensional coordination polymer, [(C7H18N)(Ag2I3)]n((C7H18N)+=Methyltriethylammonium) has been successfully synthesized and characterized by X-ray single-crystal diffraction method. Structure analysis shows that the compound consists of organic cations(Methyltriethylammonium) and inorganic anion chains (Ag2I3)n-. The inorganic moiety consists of AgI4 tetrahedron, which shares the same edges with adjacent AgI4 tetrahedrons to form one-dimensional infinite double chains along a-axis. There exists weak interaction among Ag…Ag atoms in the crystal. Anion chains are surrounded by Methyltriethylammonium cations. Anion chains and cations are in combination with each other by static attracting forces in the crystal to form so-called organic-inorganic hybrid structure. According to the crystal structure data, quantum chemistry calculation with DFT on B3LYP level was used to reveal the electronic structure of title compound. CCDC: 254288. |
| Keywords: organic-inorganic hybrid template synthesis silve(Ⅰ) iodide quantum chemistry calculation ethanol |
| 投稿时间：2004-11-08 修订日期：2005-02-24 |
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| 李浩宏,陈之荣,黄长沧,肖光参,李俊篯,张文选.一种新颖有机/无机杂化配位聚合物[(C7H18N)(Ag2I3)]n的合成、结构及量子化学计算(英)[J].无机化学学报,2005,21(6):933-937. |
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