| Abstract: An organooxotin complex of {[n-Bu2Sn(2,4,6-TMBA)]2O}2 has been synthesized by the reaction of n-Bu2SnO with 2,4,6-TMBA and characterized by IR, 1H NMR, 13C NMR and elemental analysis. The crystal structure has been determined by X-ray diffraction. It crystallizes in the monoclinic, space group P1, with a=1.272 56(2) nm, b=1.322 73(2) nm, c=1.437 25(3) nm, α=111.197 0(10)°, β=99.691 0(10)°, γ=111.790 0(10)°, Z=1, V=1.962 35(6)nm3, Dc=1.368 Mg·m-3, μ(Mo Kα)=1.308 mm-1, F(000)=828, R=0.037 2, wR=0.096 1. This complex belongs to centrosymmetric structure mode with a four-membered central endocyclic Sn2O2 unit in which the bridging oxygen atoms are tri-coordinated. Each bridging oxygen atom also connects with an exocyclic tin atom. The endocyclic and exocyclic tin atoms all are five-coordinated in a distorted trigonal bipyramidal geometry. The stabilities, some frontier molecular orbital energies, the populations of the atomic net charges and composition characteristics of some frontier molecular orbital of the complex have been investigated. The complex was studies by TGA analysis. CCDC: 837504. |
| 蒋伍玖,邝代治,庾江喜,冯泳兰,张复兴,王剑秋.双氧桥联四核二丁基锡(2，4，6-三甲基)苯甲酸酯配合物的合成、结构、量子化学及热稳定性研究[J].无机化学学报,2012,28(11):2363-2368. |
