镍(Ⅱ)基双氮杂环卡宾配合物的合成及其晶体结构

以咪唑和取代氯化苄为原料,经氮烷基化反应合成三个氮杂环卡宾(NHC)配体[L1:N,N-二苄基咪唑-2-亚基,L2:N,N-二(4-甲基苄基)咪唑-2-亚基,L3:N,N-二(4-氯苄基)咪唑-2-亚基];再以咪唑官能团化的N-杂环卡宾配体和氯化镍为原料,通过金属交换反应合成三个新型的镍基双氮杂环卡宾配合物[Ni(NHC)_2]Cl_2(C1~C3),其结构经~1H NMR,IR,元素分析和X-单晶射线衍射表征。配合物C1和C3属于单斜晶系,分别为P2_1/n和P2_1/c空间群。配合物C2属于三斜晶系,为P1空间群。C1~C3的CCDC分别为:1433176,1433177和1433179。

Synthesis and Crystal Structures of Novel N-Heterocycle Carbene Nickel (II) Complexes

Three novel N-heterocycle carbine NHC ligands [ L1: 1,3-bisbenzyl-imidazole-2-ylidene, L2: 1, 3-bis ( 4-methylbenzyl )-imidazole-2-ylidene, L3: 1, 3-bis ( 4-chlorobenzyl )-imidazole-2-yli-dene] were prepared by the nitrogen alkylation reaction of iminazole with substituted benzyl chlorides. Then three novel nickel N-heterocycle carbine complexes [Ni(NHC)2]Cl2(C1~C3), were prepared by the metal exchange reaction of the imidazole NHC ligands with nickel dichloride. The structures were characterized by 1 H NMR, FT-IR, elemental analysis and X-ray single crystal diffractions. C1 and C3 belong to the monoclinic crystal system with space group P21/n and P21/c respectively, Where as C2 belongs to triclinic crystal system with space group P1 . CCDC of C1 ~ C3 were 1433176 , 1433177 and 1433179 respectively.