中文摘要：

二正丁基氧化锡和2-萘甲酸按物质的量比1：1,通过微波固相合成法合成了二正丁基锡2-萘甲酸酯配合物{[n-Bu_2Sn（O_2CC_（10）H_9）]_2O}_2。经X-射线衍射方法测定了其晶体结构,配合物属三斜晶系,空间群为π,晶体学参数a=1.19564（7）nm,b=1.26634（7）nm,c=1.42679（9）nm,α=79.7120（10）,β=69.0330（10）°,γ=72.1050（10）°,V=1.9146（2）nm~3,Z=1,D_c=1.430g/cm~3,μ（MoK_a）=13.42 cm~（-1）,F（000）=836,R_1=0.0426,wR_2=0.1189。配合物是以Sn_2O_2构成的平面四元环为中心环的二聚体结构,锡原子均为五配位的畸变三角双锥构型。对其结构进行量子化学从头计算,探讨了配合物的稳定性、分子轨道能量以及一些前沿分子轨道的组成特征。通过循环伏安法研究了其电化学性质。

英文摘要：

The dialkyltin 2-Naphthyl benzoate Compound {[n-Bu_2Sn（O_2CC_（10）H_9）]_2O}_2 was synthesized by Microwave assisted solid-state synthesis.Its structure has been determined by X-ray single crystal diffraction.The crystal belongs to triclinic with space group~（P1）,a =1.19564（7） nm,b =1.26634（7） nm,c =1.42679（9） nm,α= 79.7120（10）,β= 69.0330（10）°,γ=72.1050（10）°. V= 1.9146（2） nm~3,Z=1,D_c = 1.430 g/cm~3,μ（MoK_a）=13.42 cm~（-1）,F（000）=836,R_1=0.0426,wR_2=0.1189.In the complex,the tin atoms are rendered five-coordination in a distorted tigonal bipyram idalstructure,and the dimer structure is shaped by one Sn_2O_2 planar.The study on title complex has been performed,with quantum chemistry calculation by means of G98W package and taking Lan12dz basis set.The stabilities of the complex,the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated.The electrochemistry propertieswere studied by cyclic voltammetry.