μ-氧-双{三[邻氯(氟)苄基]锡}的合成、结构和量子化学研究  

Studies on Synthese,Crystal Structures and Quantum Chemistry of theμ-Oxygen-Bis[Tri(o-Chlorobenzyl )tin]andμ-Oxygen-Bis[Tri(o-Fluorobenzyl )tin]

作　　者：张复兴[1] 邝代治[1] 冯泳兰[1] 王剑秋[1] 许志锋[1] 

机构地区：[1]衡阳师范学院化学系,衡阳421008

出　　处：《无机化学学报》2002年第10期1057-1062,共6页Chinese Journal of Inorganic Chemistry

基　　金：湖南省自然科学基金资助项目(No.00JJY2010);湖南省教育厅重点资助项目(No.00A004)。

摘　　要：苄基锡化合物具有丰富的反应性和结构特征,引起人们的兴趣“1.21,前文[1.4],我们分别用苄基氯和对氯苄基氯合成了μ-O-双(三苄基锡)和二(对-氯苄基)二氯化锡,最近,我们在水和正丁醇中,用对氯苄基氯与锡粉直接反应,获得高收率的四(对氯苄基)锡”,并报道了它们的晶体结构,发现苄基锡化合物的一些结构特征,在研究苄基氯与锡的反应时,我们发现苯环上卤原子对反应性有明显的影响,为了较系统地阐明苄基氯与锡的反应以及卤素对苄基的活化作用,本文报道μ-氧-双[三(邻氯苄基)锡](1)和μ氧-双[三(邻氟苄基)锡](2)的合成及其晶体结构。The tri(o-chlorobenzyl)tin chloride as well as the tri(o-fluorobenzyl)tin was treated with aqueous solutio n of NaOH to formed theμ-oxygen-bis[tri(o-chlorobenzyl)tin]andμ-oxygen-bis[tri(o-fluorobenzyl)tin],respectively.The crystal and molecular structure s of compound were determined by X-ra y diffraction.The crystal(1)belongs to triclinic space groupP1with a=1.0195(5),b=1.0951(6),c=1.0986(6)nm,α=118.250(7),β=104.923(7),γ=99.534(8)°,V=0.9827(9)nm^(3),Z=1,D x=1.701g·cm^(-3),μ(Mo Kα)=17.12cm^(-1),F(000)=498,R_(1)=0.0680,w R_(2)=0.13014.The crystal(2)are triclinic,space groupP1with a=0.9635(3),b=1.0797(4),c=1.0852(3)nm,α=105.807(5),β=90.551(6),γ=116.382(5)°,V=0.9619(6)nm^(3),Z=2,D x=1.595g·cm^(-3),μ(Mo Kα)=13.62cm^(-1),F(000)=458,R_(1)=0.0268,w R_(2)=0.0674.The bond lengths of Sn-C is 0.2128(9)~2.162(12)nm and 0.2155(4)~0.2162(3)nm,and the Sn-O is 0.1901nm and0.19166(6)nm,respectively.The bond angle Sn-O-Sn is 180.0(0)°.The tin atom has a distorted tetrah edral geometry.The composition characte ristics of some frontier molecular o rbitals have been investigated by me ans of G98W package and taking Lanl2dz basis set.(1)CCDC:184751,(2)CCDC:187572.

关 键 词：μ-氧-双{三[邻氯(氟)苄基]锡} 合成 结构 量子化学 

分 类 号：O614.432[理学—无机化学]