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在甲醇中三苄基氯化锡与3,4-二甲氧基苯甲酸发生脱烃基反应,合成了梯形四核有机锡氧簇合物[(μ-O)(μ-OMe)(L)Sn2(CH2Ph)4]2(HL=(MeO)2C6H3CO2H),经UV、IR、元素分析及X-射线单晶衍射表征结构。该晶体属三斜晶系,空间群P1,晶体学参数: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=1.780 1(12)nm3,Z=1,Dc=1.549 g·cm-3,μ(Mo Kα)=1.447 mm-1,F(000)=832,R1=0.0261,wR2=0.060 6。晶体结构分析表明:整个分子是以Sn2O2四元环为中心的对称结构,中心锡原子呈五配位畸变三角双锥构型。晶体中,两相邻的配合物分子经C-H…π作用组成一维带状结构。利用量子化学G03W软件,在LANL2DZ基组对配合物的稳定性、前沿分子轨道组成及能量进行研究。热重分析表明,配合物在128℃以下能稳定存在。此外,还研究了该配合物的荧光性质。
(Μ-O) (μ-OMe) (L) has been synthesized by the dehydrochlorination of tribenzyltin chloride with 3,4-dimethoxybenzoic acid in methanol. Sn2 (CH2Ph) 4] 2 (HL = (MeO) 2C6H3CO2H). The structures were characterized by UV, IR, elemental analysis and X-ray single crystal diffraction. The crystal belongs to the triclinic system, the space group P1 has the following crystallographic parameters: a = 1.225 6 (5) nm, b = 1.229 4 (5) nm, c = 1.378 0 , β = 68.568 (7) °, γ = 72.926 (7) °, V = 1.780 1 (12) nm3, Z = 1, Dc = 1.549 g · cm-3 and μ (Mo Kα) = 1.447 mm- F (000) = 832, R1 = 0.0261, wR2 = 0.0606. The crystal structure analysis shows that the entire molecule is a symmetric structure centered on the Sn2O2 four-membered ring, and the central tin atom is in a five-coordinate distorted triangular double cone configuration. Crystal, the two adjacent complex molecules by C-H ... π role of one-dimensional band structure. The quantum chemistry G03W software was used to study the stability of complex, the frontier molecular orbital composition and energy in LANL2DZ basis set. Thermogravimetric analysis showed that the complex was stable below 128 ℃. In addition, the fluorescence properties of the complex were also studied.