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
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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, Dc=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.
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