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

Synthesis and Crystal Structure of [O-4,6-di-^tBu-C6H2-2-CH2-[C{N(CHCH)NMe}]3Y
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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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 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)
关键词 organolanthanide N-aryloxo imidazolium crystal structure 1 2-benzyl migration YTTRIUM organolanthanide,N-aryloxo imidazolium,crystal structure,1,2-benzyl migration,yttrium
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参考文献11

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