期刊论文

中文

化学试剂

0258-3283

2006

28

10

583-586

10.3969/j.issn.0258-3283.2006.10.003

湖南省自然科学基金资助项目（05JJ40015）。；

本校为其他机构

用μ-氧-双[三（邻溴苄基）锡]与3-吲哚丙烯酸反应,合成了三（邻溴苄基）锡3-吲哚丙烯酸酯.通过元素分析、IR和经X-射线单晶衍射分析表明,该化合物属单斜晶系,空间群C2/c,晶胞参数：a=1.678 79（17）nm,b=1.184 39（12）nm,c=3.252 7（3）nm,β=91.076（2）°,V=6.466 4（11）nm^3,Z=8,Dc=1.674g/cm^3,μ（MoK α）=4.525 cm^-1,F（000）=3 168,R1=0.065 3,wR2=0.218 6;在化合物中Sn-C键长分别为0.214 0（8）,0.215 5（8）和0.218 5（8）nm,Sn-O键为0.205 0（5）nn,中心锡与亚甲基碳和氧原子构成畸型四面体.对其结构进行量子化学从头计算,探讨了化合物的稳定性、分子轨道能量、原子净电荷布居规...

The title compound has been synthesized by reaction of tri（o-bromobenzyl） tin with 3-indoleacrylic acid in the solvent benzene. The compound is characterized by elementary analysis, IR spectra and X-ray crystallography diffraction analysis which shows a distorted tetrahedral geometry around the tin atom with space group C2/c. In addition we have further studied its electronic structures with quantum chemistry calculation by means of G98W package and taking Lan12dz basis set.The crystal belongs to monoclinic system with a = 1.678 79（17） nm, ...