Synthesis and Crystal Structure of [O-4,6-di-^tBu-C6H2-2-CH2-[C{N（CHCH）NMe}]3Y  

作　　者：王志国 沈琪 刘思曼 黄海霞 周小力 

机构地区：[1]Department of Chemistry and Chemical Engineering, Mianyang Normal University [2]College of Chemistry and Chemical Engineering,Suzhou University

出　　处：《Chinese Journal of Structural Chemistry》2011年第1期55-58,共4页结构化学（英文）

基　　金：Supported by Sichuan Application Basic Foundation (2009JY0075)

摘　　要：The title complex L3Y（L = [O-4,6-di-tBu-C6H2-2-CH{CH（iPr2NCHCHN） }]） has been synthesized by the reaction of LiY[N（iPr） 2]4 with H2LCl and LiBu in a 1：3：2 molar ratio at 0 ℃ in THF,and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic,space group P21 with a = 14.3612（16） ,b = 14.7524（14） ,c = 16.898（2） ,β = 105.708（3） o,V = 3446.3（6） A^3,Mr = 1203.50,Z = 2,Dc = 1.160 Mg/m^3,μ（MoKα） = 0.90 mm^-1 and F（000） = 1296. The structure was refined to R = 0.050 and wR = 0.110 for 10213 observed reflections with I 〉 2σ（I） . The Y ion is coordinated to three phenoxo groups and three NHC ligands to form a distorted octahedral geometry. The temperature effect on the reaction leads to the 1,2-benzyl migration of NHC ligand to form the title complex.The title complex L3Y（L = [O-4,6-di-tBu-C6H2-2-CH{CH（iPr2NCHCHN） }]） has been synthesized by the reaction of LiY[N（iPr） 2]4 with H2LCl and LiBu in a 1：3：2 molar ratio at 0 ℃ in THF,and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic,space group P21 with a = 14.3612（16） ,b = 14.7524（14） ,c = 16.898（2） ,β = 105.708（3） o,V = 3446.3（6） A^3,Mr = 1203.50,Z = 2,Dc = 1.160 Mg/m^3,μ（MoKα） = 0.90 mm^-1 and F（000） = 1296. The structure was refined to R = 0.050 and wR = 0.110 for 10213 observed reflections with I 〉 2σ（I） . The Y ion is coordinated to three phenoxo groups and three NHC ligands to form a distorted octahedral geometry. The temperature effect on the reaction leads to the 1,2-benzyl migration of NHC ligand to form the title complex.

关 键 词：organolanthanide N-aryloxo imidazolium crystal structure 1 2-benzyl migration YTTRIUM 

分 类 号：O621.3[理学—有机化学]