Syntheses, Crystal Structures and Quantum Chemistry of Tri(3,5-difluorobenzyl) tin Chloride and Tetra(o-chlorobenzyl)tin

被引：2

作者：

Zhang Fu-Xing ^{[1
]}

Tao Jing ^{[1
]}

Tang Dan-Dan ^{[1
]}

Luo Jing ^{[1
]}

Tang Peng ^{[1
]}

Kuang Dai-Zhi ^{[1
]}

Feng Yong-Lan ^{[1
]}

Zhu Xiao-Ming ^{[1
]}

机构：

[1] Hengyang Normal Univ, Coll Hunan Prov, Key Lab Funct Organomet Mat, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China

来源：

CHINESE JOURNAL OF INORGANIC CHEMISTRY | 2017年 / 33卷 / 04期

关键词：

tri(3.5-difluorohenzyl)tin chloride; tetra(o-chlorohenzvl)tin; synthesis; crystal structure; quantum chemistry; CHAIN;

D O I：

10.11862/CJIC.2017.073

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Tri(3.5-difluorobenzyl)tin chloride (1) and tetra(o-chlorobenzvl)tin(2) have been synthesized. The crystal structures of the compounds were determined by X-ray diffraction. The crystal 1 belongs to monoclinic space group C2/c with a=1.858 33(11) nm, b=1.140 98(7) nm.c=2.690 06 (16) nm, beta=109.288(10), V=5.383 6(6) nm(3),Z=8, D=1.532 g.cm(-3),mu(Mo K alpha)=13.61 cm(-1),F(000)=2 480,R-1=0.085 1,wR(2)=0.168 1. The crystal 2 belongs to monoclinic space group P2lm with a=0.585 54(5) rim,b=1.969 74(18) nm.c=0.857 86(8) nm,beta=95.204 0(10)degrees, V=0.985 34(15) nm(3),Z=2, D,.= 1.805 g.cm(-3),mu(Mo K alpha)= 14.91 cm-(1),F(000)=524, R-1=0.0540. wR(2)=0.163 9. The tin atoms have a distorted tetrahedral geometry. The study on two compounds have been performed with quantum chemistry calculation. The stabilities. some frontier molecular orbital energies and composition characteristics of some frontier molecular orbital of the compound have been investigated. The thermal stability of the compounds were tested. CCDC: 1533663, 1; 1533662, 2.

引用

页码：644 / 650

页数：7