Citation: WANG Jian-Qiu, ZHANG Fu-Xing, KUANG Dai-Zhi, FENG Yong-Lan, YU Jiang-Xi, JIANG Wu-Jiu, ZHU Xiao-Ming. Syntheses, Crystal Structures and Quantum Chemistry of Tri(3,5-dimethylbenzyl)tin Chloride and Tetra(m-cyanobenzyl)tin[J]. Chinese Journal of Inorganic Chemistry, ;2015, (2): 237-242. doi: 10.11862/CJIC.2015.018 shu

Syntheses, Crystal Structures and Quantum Chemistry of Tri(3,5-dimethylbenzyl)tin Chloride and Tetra(m-cyanobenzyl)tin

1.
Key Laboratory of Functional Organometallic Materials of College of Hunan Province, Department of Chemistry and Material Science, Hengyang Normal University, Hengyang, Hunan 421008, China

Corresponding author: ZHANG Fu-Xing,
Received Date: 19 June 2014
Available Online: 20 October 2014
Fund Project: 湖南省高校创新平台开放基金项目(No.12K124) (No.12K124)湖南省自然科学基金项目(No.11JJ3021) (No.11JJ3021)湖南省重点学科基金和湖南省高校重点实验室开放基金(No.13K02)资助 (No.13K02)

The tri(3,5-dimethylbenzyl)tin chloride (1) and the tetra(m-cyanobenzyl)tin (2) have been synthesized. The crystal structures of the complexes were determined by X-ray diffraction. The crystal of 1 belongs to monoclinic space group P2₁/m with a=0.58403(4) nm, b=1.96637(14) nm, c=0.85646(5) nm, β=95.138(3)°, V=0.97962(11) nm³, Z=2, D_c=1.735 g·cm^-3, μ(Mo Kα)=14.53 cm^-1, F(000)=524, R₁=0.0437, wR₂=0.1232. The crystal 2 belongs to monoclinic space group C2/c with a=1.69221(12) nm, b=1.16741(8) nm, c=1.53941(11) nm, β=116.615(10)°, V=2.7189(3) nm³, Z=4, D_c=1.424 g·cm^-3, μ(Mo Kα)=9.67 cm^-1, F(000)=1176, R₁=0.0175, wR₂=0.0461. The tin atoms have a distorted tetrahedral geometry. The stabilities, some frontier molecular orbital energies and composition characteristics of some frontier molecular orbital of the complex have been investigated by quantum chemistry calculation. CCDC: 1030252, 1; 1030251, 2.
- tri(3,5-dimethylbenzyl)tin chloride;tetra(m-cyanobenzyl)tin;synthesis;crystal structure
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沈阳化工大学材料科学与工程学院沈阳 110142