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- W2357361190 abstract "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=1.225 6(5) nm, b=1.229 4(5) nm, c=1.378 0(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(Mo Kα)=1.447 mm-1, F(000)=832, R1=0.026 1 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 Sn2O2unit. Due to the C-H …π interactions between phenyl-H and benzene ring, the adjacent molecules of the complex is linked to generate 1D ribbon structure. A theoretical 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. CCDC: 841414." @default.
- W2357361190 created "2016-06-24" @default.
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- W2357361190 date "2014-01-01" @default.
- W2357361190 modified "2023-09-24" @default.
- W2357361190 title "Synthesis, Characterization, Quantum Chemistry, Thermal and Fluorescence Property of a Ladderlike Tetranuclear Organooxotin Cluster" @default.
- W2357361190 hasPublicationYear "2014" @default.
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