| 一个新的锡硫配合物(Et4N)[Sn2I6SOCH3]的合成、结构及量子化学研究 |
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| 引用本文： | 张慧双,钱保华,裴晓琴,马卫兴,葛洪玉,贾海红. 一个新的锡硫配合物(Et4N)[Sn2I6SOCH3]的合成、结构及量子化学研究[J]. 无机化学学报, 2011, 27(7): 1309-1313 |
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| 作者姓名： | 张慧双 钱保华 裴晓琴 马卫兴 葛洪玉 贾海红 |
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| 作者单位： | 淮海工学院化学工程学院,连云港,222005 |
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| 基金项目： | 国家自然科学基金(No.21001048); 校内课题(No.kx07046)资助项目 |
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| 摘 要： | 以锡粉、碘粉、硫粉和四乙基碘化铵为原料,在无水甲醇中,通过溶剂热反应合成了1个新的锡髧配合物(Et4N)[Sn2I6SOCH3]。对其进行了X-射线单晶衍射、元素分析的表征以及量子化学研究。该化合物属于单斜晶系,空间群为P21,a=0.728 65 nm,b=1.836 81 nm,c=1.016 25 nm,β=107.209°,V=1.299 2 nm3,Z=2。结构分析表明,化合物中的阴离子[Sn2I6SOCH3]-是由2个共边的SnSI3O三角双锥组成。电荷分布和前沿轨道的组成充分证实了配合物中配位键的存在。
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| 关 键 词： | 晶体结构 锡硫化合物 溶剂热合成 量子化学计算 |
Synthesis, Crystal Structure and Quantum Chemistry Study of a New Thiostannat (Et4N)[Sn2I6SOCH3] |
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| ZHANG Hui-Shuang,QIAN Bao-Hu,PEI Xiao-Qin,MA Wei-Xing,GE Hong-Yu and JIA Hai-Hong. Synthesis, Crystal Structure and Quantum Chemistry Study of a New Thiostannat (Et4N)[Sn2I6SOCH3][J]. Chinese Journal of Inorganic Chemistry, 2011, 27(7): 1309-1313 |
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| Authors: | ZHANG Hui-Shuang QIAN Bao-Hu PEI Xiao-Qin MA Wei-Xing GE Hong-Yu JIA Hai-Hong |
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| Affiliation: | Department of Chemistry and Chemical Engineering, Huaihai Institute of Technology, Lianyungang, Jiangsu 222005, China,Department of Chemistry and Chemical Engineering, Huaihai Institute of Technology, Lianyungang, Jiangsu 222005, China,Department of Chemistry and Chemical Engineering, Huaihai Institute of Technology, Lianyungang, Jiangsu 222005, China,Department of Chemistry and Chemical Engineering, Huaihai Institute of Technology, Lianyungang, Jiangsu 222005, China,Department of Chemistry and Chemical Engineering, Huaihai Institute of Technology, Lianyungang, Jiangsu 222005, China and Department of Chemistry and Chemical Engineering, Huaihai Institute of Technology, Lianyungang, Jiangsu 222005, China |
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| Abstract: | A new tin(Ⅳ) complex(Et4N)[Sn2I6SOCH3] was synthesized by solvothermal method of tin powder,iodine powder,sulfur powder and tetraethyl ammonium iodide in absolute methanol.X-ray crystal diffraction,elemental analysis and quantum chemistry study were carried out for the title compound.It belongs to monoclinic system,with space group P21,a=0.728 65 nm,b=1.836 81 nm,c=1.016 25 nm,β=107.209°,V=1.299 2 nm3,Z=2.In the title compound,the anion [Sn2I6SOCH3]-is composed of two SnSI3O trigonal biyramid sharing common edge.The distribution of charges and the composition of frontier molecular orbits provided a good testimony for the coordination condition in the crystal structure. |
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| Keywords: | crystal structure thiostannate solvothermal method quantum chemistry calculation |
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