Citation: YU Jiang-Xi, FENG Yong-Lan, PENG Yan, JIANG Wu-Jiu, ZHU Xiao-Ming, KUANG Dai-Zhi, ZHANG Fu-Xing, WANG Jian-Qiu, YU Jun-Jie. Synthesis, Characterization, Quantum Chemistry, Thermal and Fluorescence Property of a Ladderlike Tetranuclear Organooxotin Cluster[J]. Chinese Journal of Inorganic Chemistry, ;2014, 30(5): 1135-1142. doi: 10.11862/CJIC.2014.152 shu

Synthesis, Characterization, Quantum Chemistry, Thermal and Fluorescence Property of a Ladderlike Tetranuclear Organooxotin Cluster

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

Received Date: 15 May 2013
Available Online: 15 November 2013
Fund Project: 湖南省自然科学基金(No.13JJ3112)；湖南省科技计划(No.2013TZ2025)；湖南省高校创新平台开放基金(No.12K124) (No.13JJ3112)；湖南省科技计划(No.2013TZ2025)；湖南省高校创新平台开放基金(No.12K124)教育厅一般项目(No.12C0537)；湖南省普通高校功能金属有机材料重点实验室开放基金(No.10K02)；衡阳市科技计划(No.2011KG56，2012KJ30)；衡阳师范学院青年骨干教师培养计划(2012)资助项目。 (No.12C0537)；湖南省普通高校功能金属有机材料重点实验室开放基金(No.10K02)；衡阳市科技计划(No.2011KG56，2012KJ30)；衡阳师范学院青年骨干教师培养计划(2012)

An organooxotin cluster [(μ-O)(μ-OMe)(L)Sn₂(CH₂Ph)₄]₂ (HL=(MeO)₂C₆H₃CO₂H) has been synthesized by the dealkylation reaction of (PhCH₂)₃SnCl with 3,4-dimethoxybenzoic acid in methanol, and was characterized by UV, IR, elemental analysis and X-ray crystal diffraction. The crystal belongs to triclinic system, space group P1 with the cell parameters: a=1.2256(5) nm, b=1.2294(5) nm, c=1.3780(5) nm, α=69.784(7)°, β=68.568(7)°, γ=72.926(7)°, V=1.7801(12) nm³, Z=1, D_c=1.549 g·cm^-3, μ(MoKα)=1.447 mm^-1, F(000)=832, R₁=0.0261 and wR₂=0.0606. Crystal structure shows a distorted trigonal bipyramidal configuration with five-coordination for the central tin atom, and the complex has a centrosymmetric structure mode with a four-membered central endocyclic Sn₂O₂ unit. Due to the C-H…π interactions between phenyl-Hand benzene ring, the adjacent molecules of the complex is linked to generate 1D ribbon structure. Atheoretical investigation of one structural unit of the title complex was carried out using Gaussian 03W at LANL2DZ level. The stability and the composition of the frontier molecular orbitals confirmed the coordination geometry of the crystal structure. Thermogravimetric analysis shows that the complex is stable up to 128 ℃. Moreover, its fluorescence spectra was also investigated.
- organooxotin cluster;synthesis;crystal structure;quantum chemistry;thermal stability
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