| Abstract: The tricyclohexyltin pyrrolidine dithiocarbamate (1) and the tricyclohexyltin phthalimide complexes (2) have been synthesized via the reaction of the tricyclohexyltin hydroxide with the pyrrolidine dithiocarbamate and the phthalimide, respectively, and the structure has been characterized by IR, 1H NMR spectra and elemental analysis. The crystal structure has been determined by X-ray diffraction. The crystal 1 belongs to orthorhombic space group P212121 with a=1.228 06(3) nm, b=1.238 20(2) nm, c=1.662 54(3) nm, Z=4, V=2.528 03(9) nm3, Dc=1.351 g·cm-3, μ(Mo Kα)=1.184 mm-1, F(000)=1 072, R1=0.048 7, wR2=0.121 0. The crystal 2 belongs to orthorho-mbic space group P212121 with a=1.244 70(19) nm, b=1.269 45(19) nm, c=1.587 7(2) nm, Z=4, V=2.508 7(6) nm3, Dc=1.362 g·cm-3, μ(Mo Kα)=1.039 mm-1, F(000)=1 064, R1=0.049 9, wR2=0.128 4. The tin atoms have a distorted tetrahedral coordination geometry. The study on two complexes have been performed with quantum chemistry calculation. The stabilities, some frontier molecular orbital energies and composition characteristics of some frontier molecular orbital of the complex have been investigated. CCDC: 809061, 1; 809064, 2. |
| 邝代治,蒋伍玖,冯泳兰,张复兴,王剑秋,庾江喜.三环己基锡吡咯啶二硫代氨基甲酸酯和三环己基锡邻苯二甲酰亚胺配合物的合成、结构和量子化学研究[J].无机化学学报,2011,27(10):1981-1986. |
