| Abstract: The title compound bis( p-methylbenzyl)tin oxo(chlo) cluste was synthesized by the reaction of the bis( p- methylbenzyl)tin dichloride with the sodium hydroxide solution. Its structure has been determined by X-ray diffra-ction. The crystal belongs to triclinic, space group P1 with a=0.979 52(16) nm, b=1.313 8(2) nm, c=1.419 5(2) nm, α=62.965(10)°, β=88.551(12)°, γ=73.709(11)°, V=1.550 5(5) nm3, Z=1, Dc=1.563 g·cm-3, μ(Mo Kα)=17.38 cm-1, F(000)=727, R=0.024 2, wR=0.057 9. According to structural analysis, the tin atoms are rendered five-coordina-tion in a distorted tigonal bipyram idalstructure, and the ladder-like structure is shaped by one Sn2O2 planar four-membered inner ring and two Sn2OCl(O) planar four-membered outer rings. The study on title complex has been performed,with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stabilities of the complex, the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated. CCDC: 745810. |
| 张复兴,王剑秋,邝代治,冯泳兰,张志坚,许志锋,贺 盼.梯形结构二(对甲基苄基)锡氧(氯)簇合物的合成、结构及量子化学研究[J].无机化学学报,2009,25(10):1812-1817. |
