二苄基锡水杨醛缩邻氨基苯酚Schiff碱配合物的合成、结构及荧光性质研究

Synthesis, Crystal Structure and Photoluminescence Properties of Dibenzyl Tin Complex with Salicylidene-2-aminophenol

二苄基二氯化锡和水杨醛缩邻氨基苯酚Schiff碱按物质的量比1∶1反应,合成了二苄基锡水杨醛邻缩氨基苯酚Schiff碱配合物。经X-射线衍射方法测定了其晶体结构,属单斜晶系,空间群为P21/n,晶体学参数a=1.110 03(3)nm,b=1.719 87(5)nm,c=1.176 09(3)nm,β=100.564 0(10)°,V=2.207 23(10)nm3,Z=4,Dc=1.541 g·cm-3,μ(Mo Kα)=11.81 cm-1,F(000)=1 023,R1=0.026 8,wR2=0.061 9,中心锡原子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、分子轨道能量以及部分前沿分子轨道的组成特征。研究了配合物的荧光性质。

Dibenzyl tin complex with salicylidene-2-aminophenol was synthesised by the reaction of dibenzyl tin dichloride with salicylidene-2-aminophenol Sehiff Bases. The crystal structures have been determined by X-ray diffraction. It belongs to monoclinic system, space group P21/n with α=1.11003（3）nm,b=1.71987（5）nm,c=1.17609（3）nm,β=100.5640（10）°,V=2.20723（10）nm^3,Z=4,Dc=1.541g·cm^-3,μ（Mo Kα）=11.81cm^-1,F（000）=1023,R1=0.0268,wR2=0.0619. The tin atom is rendered five-coordination in a distorted tigonal bipyram idal- structure. The study on the title complex has been performed with quantum chemistry calculation. The stabilities, the orbital energies and composition characteristics of some frontier molecular orbitals of the complex have been investigated. The photolumineseent property of complexes was investigated. CCDC： 934721.