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(Ⅳ)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 65nm,b=1∶83681 nm,c=1.016 25 nm,β=107.209.,V=1.2992 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.%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=0.72865 nm, b=1.83681 nm, c=1.01625 ran, 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. CCDC: 773530.
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