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Citation: ZHANG Fuxing, WANG Jianqiu, KUANG Daizhi, FFNG Yonglan, XU Zhifeng, YU Jiangxi. Microwave Assisted Solid-state Synthesis, Crystal Structure, Quantum Chemistry Calculation and in vitro Inhibition Activity to Cancer Cells of the Di-n-Buyltin Di-o-chlorobenzoate[J]. Chinese Journal of Applied Chemistry, ;2012, 29(5): 520-526. doi: 10.3724/SP.J.1095.2012.00300 shu

Microwave Assisted Solid-state Synthesis, Crystal Structure, Quantum Chemistry Calculation and in vitro Inhibition Activity to Cancer Cells of the Di-n-Buyltin Di-o-chlorobenzoate

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

Corresponding author: ZHANG Fuxing,
Received Date: 13 July 2011
Available Online: 27 September 2011
Fund Project: 湖南省教育厅重点项目(10A014,10K010) (10A014,10K010)湖南省自然科学基金资助项目(11JJ3021) (11JJ3021)

Di-n-buyltin di-o-chlorobenzoate {[n-Bu₂Sn(O₂CC₁₀H₉)]₂O}₂ was synthesized by a microwave assisted solid-state synthesis.Its structure has been determined by X-ray single crystal diffraction.The crystal belongs to the triclinic space group P1 with a=1.17653(4) nm,b=1.20672(4) nm,c=2.74090(9) nm,α=80.493(2)°,β=83.995(2)°,γ=64.260(2)°,V=3.4547(2) nm³,Z=2,D_c=1.525 g/cm³,μ(MoK_α)=16.34 cm^-1,F(000)=1 592,R₁=0.0414,wR₂=0.1349.In the complex,the tin atoms are five-coordinated in a distorted tigonal bipyram idalstructure,and the dimeric structure constitutes a Sn₂O₂ planar.Theoretical study on the title complex has been performed using a quantum chemistry calculation by means of G98W package and taking LANL2DZ basis set.The stabilities of the complex,the orbital energies and composition characteristics of some frontier molecular orbitals were presented.
- microwave assisted solid-state synthesis,
- dialkyltin o-chlorobenzoate,
- crystal structure,
- ab initio method
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