Citation: ZHANG Fu-Xing, KUANG Dai-Zhi, FENG Yong-Lan, WANG Jian-Qiu, YU Jiang-Xi, JIANG Wu-Jiu, ZHU Xiao-Ming. Synthesis, Crystal Structure and Properties of the Tricyclohexyltin R-Mandeliate[J]. Chinese Journal of Inorganic Chemistry, ;2013, 29(10): 2099-2104. doi: 10.3969/j.issn.1001-4861.2013.00.263 shu

Synthesis, Crystal Structure and Properties of the Tricyclohexyltin R-Mandeliate

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, Hunan 421008, China

Received Date: 3 January 2013
Available Online: 25 April 2013
Fund Project: 湖南省高校创新平台开放基金(No.12K124) (No.12K124)湖南省自然科学基金(No.11JJ3021) (No.11JJ3021)

The tricyclohexyltin R-mandeliate was synthesized by the reaction of the tricyclohexyltin hydroxide with the R-mandelic acid. Its structure has been determined by X-ray single crystal diffraction. The crystal belongs to orthorhombic with space group P2₁2₁2 a=0.80641(4) nm, b=1.76868(9) nm, c=1.83479(8) nm, V=2.6169(2) nm³, Z=4, D_c=1.318 g·cm^-3, μ(Mo Kα)=9.98 cm^-1, F(000)=1080, R₁=0.0390, wR₂=0.1039. The tin atom has a distorted tetrahedral geometry.The study on title complex has been performed,with quantum chemistry calculation by means of G03Wpackage and taking Lanl2dz basis set. The stabilities of the complex,the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated. The properties of thermogravimetric analysis and photoluminescent behavior and electrochemical of the complex have also been discussed.
- tricyclohexyltin R-mandeliate; synthesis; crystal structure; ab initio method
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沈阳化工大学材料科学与工程学院沈阳 110142