Synthesis and Crystal Structure of an Indenylnickel(II) NHC Complex (Ind)NiBr(1,3-bisbenzylimidazol-2-ylidene)  

作　　者：HU Dong-Mei SUN Hong-Mei WANG Yong-Sheng SHEN Qi XUE Feng 

机构地区：[1]The Key Lab of Organic Synthesis of Jiangsu Province, College of Chemistry and Chemical Engineering, Suzhou University, Suzhou 215123, China [2]Department of Chemistry, The National University of Singapore, Singapore 117543, Republic of Sinapore

出　　处：《Chinese Journal of Structural Chemistry》2006年第10期1255-1259,共5页结构化学（英文）

基　　金：This work was supported by the National Natural Science Foundation of China (No. 20272040) and the Key Lab. of Organic Synthesis of Jiangsu Province

摘　　要：The complex （Ind）NiBr（1,3-bisbenzylimidazol-2-ylidene） （Ind = indenyl） 1 has been prepared in ca. 65% yield via the reaction of （Ind）2Ni with an equivalent of 1,3-bis-benzylimidazolium bromide in THF/CH2Cl2 at 45℃, supported by elemental analysis, NMR spectroscopy and X-ray crystal determination. The crystal belongs to the triclinic system, space group Pi with a = 7.072（1）, b = 11.264（2）, c = 14.541（3）°A, α = 102.21（3）,β = 93.44（3）,γ = 90.81（3）°, V = 1129.7（4）°A^3, Z = 2, Mr = 502.08, Dc = 1.476 g/cm^3, F（000） = 512, μ= 2.642 mm^-1, R = 0.0490 and wR = 0.1137 for 3913 observed reflections （I〉 2σ（I））. The center nickel atom is coordinated by a bromide ligand, a carbene carbon and three carbon atoms of the five-membered indenyl group to form either a highly distorted square pyramid or a highly distorted square plane.The complex （Ind）NiBr（1,3-bisbenzylimidazol-2-ylidene） （Ind = indenyl） 1 has been prepared in ca. 65% yield via the reaction of （Ind）2Ni with an equivalent of 1,3-bis-benzylimidazolium bromide in THF/CH2Cl2 at 45℃, supported by elemental analysis, NMR spectroscopy and X-ray crystal determination. The crystal belongs to the triclinic system, space group Pi with a = 7.072（1）, b = 11.264（2）, c = 14.541（3）°A, α = 102.21（3）,β = 93.44（3）,γ = 90.81（3）°, V = 1129.7（4）°A^3, Z = 2, Mr = 502.08, Dc = 1.476 g/cm^3, F（000） = 512, μ= 2.642 mm^-1, R = 0.0490 and wR = 0.1137 for 3913 observed reflections （I〉 2σ（I））. The center nickel atom is coordinated by a bromide ligand, a carbene carbon and three carbon atoms of the five-membered indenyl group to form either a highly distorted square pyramid or a highly distorted square plane.

关 键 词：nickel complex indenyl ligand N-heterocyclic carbene 

分 类 号：O614.813[理学—无机化学] O626[理学—化学]