Citation: ZHANG Fu-Xing, TAO Jing, TANG Dan-Dan, LUO Jing, TANG Peng, KUANG Dai-Zhi, FENG Yong-Lan, ZHU Xiao-Ming. Syntheses, Crystal Structures and Quantum Chemistry of Tri (3, 5-difluorobenzyl) tin Chloride and Tetra (o-chlorobenzyl) tin Chlorde and Tetra (o-chlorobenzyl) tin[J]. Chinese Journal of Inorganic Chemistry, ;2017, 33(4): 644-650. doi: 10.11862/CJIC.2017.073 shu

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

Department of Chemistry and Material Science, Hengyang Normal University, Key Laboratory of Functional Organometallic Materials of Hengyang Normal University, College of Hunan Province, Hengyang, Hunan 421008, China

Corresponding author: ZHANG Fu-Xing, zfx8056@163.com
Received Date: 30 December 2016
Revised Date: 28 February 2017

Figures(5)

Tri (3, 5-difluorobenzyl) tin chloride (1) and tetra (o-chlorobenzyl) 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, β=109.288(10)°, V=5.383 6(6) nm³, Z=8, D_c=1.532 g·cm^-3, μ(Mo Kα)=13.61 cm^-1, F(000)=2 480, R₁=0.085 1, wR₂=0.168 1. The crystal 2 belongs to monoclinic space group P2₁/m with a=0.585 54(5) nm, b=1.969 74(18) nm, c=0.857 86(8) nm, β=95.204 0(10)°, V=0.985 34(15) nm³, Z=2, D_c=1.805 g·cm^-3, μ(Mo Kα)=14.91 cm^-1, F(000)=524, R₁=0.0540, wR₂=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.
- tri (3, 5-difluorobenzyl) tin chloride,
- tetra (o-chlorobenzyl) tin,
- synthesis,
- crystal structure,
- quantum chemistry
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