单、双核镍(Ⅱ)配合物的晶体结构、光谱和磁性  

Crystal Structure, Spectra and Magnetism of Mono- , Di - Nickel(II) Complexes

作　　者：阎世平[1] 张雷[1] 阎洪亮 廖代正[1] 姜宗慧[1] 王耕霖[1] 王宏根[2] 姚心侃[2] 

机构地区：[1]南开大学化学系,天津300071 [2]南开大学测试中心,天津300071

出　　处：《化学学报》1999年第6期583-589,共7页Acta Chimica Sinica

基　　金：国家自然科学基金(29771021)资助课题

摘　　要：报道2个具有三足四齿配体,三(2-甲基吡啶)胺(缩写TPA)的单、双核镍(Ⅱ)配合物.X射线晶体结构分析结果表明,双核镍配合物(1)晶体(C_(36)H_(36)N_8Ni_2Cl_2)·11/6(ClO_4)·1/6(OH)·8/6(H_2O)属三方晶系,空间群为R-3,a=2.8425(4)nm,b=2.8425(4)nm,c=1.4385(5)nm,α=β=90.00°,γ=120.00°,Z=18,最终因子R=0.078,R_w=0.078.单核配合物晶体C_(20)H_(18)N_6NiS_2·0.5(H_2O),属三斜晶系,空间群P(?),a=0.9467(1)nm,b=1.5566(3)nm,c=1.5913(3)nm,α= 73.59(4)°,β=87.37(3)°,γ=76.27(2)°,Z=4,最终因子R=0.0784,R_w=0.238.双核配合物的变温磁化率(4～300K)数据表明,用最小二乘法进行理论拟会(H=-2JS_1·S_2),得出交换积分J=6.72cm^(-1),θ=-0.60cm^(-1),表明双核镍之间为弱的铁磁相互作用,分子间为弱的反铁磁相互作用.Two complexes, one is binuclear Ni( II ) complex 1, another is mononuclear Ni(II ) complex 2 with the ligand TPA [TPA = tri(2 - pyridylmethyl) amide], have been synthesized. Their structures have determined by single crystal X - ray diffraction method . The binuclear Ni ( II ) complex ,C36H36N8Ni2Cl2·11/6( ClO4)· 1/6(OH)· 8/6( H2O) , is trigonal system, spacegroup R - 3 , a = 2.8425(4)nm,b=2.8425(4)nm, c = 1.4385(5) nm,α = β = 90.00°,γ= 120.00°, Z = 18, final R = 0.078, Rw = 0.078. The crystal of mononuclear Ni( II ) complex, C20H18N6NiS2 0.5(H2O) istriclinic system, space group, P1, a = 0.9467(1) nm, b = 1.5566(3) nm, c = 1.5913(3) nm, α =73.59(4)°, β = 87.37(3)°, γ = 76.27(2)°, Z=4,R= 0.0784, Rw = 0. 238. The variable temperature magnetic susceptibility (4 ~ 300K) of complex 1 indicates there is a ferromagneticintramolecular interaction (J = 6.72 cm-1 ) and weak antiferromagnetic intermolecular interaction ( θ= -0.60cm-1).

关 键 词：镍配合物 三足四齿配体 晶体结构 单核 双核 

分 类 号：O614.813[理学—无机化学]