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配位聚合物{[Zn(bpfp)(NCS)_2(H_2O)_2]·2 H_2O}_n的合成与晶体结构 被引量:6

Synthesis and Crystal Structure of Coordination Polymer {[Zn(bpfp)(NCS)_2(H_2O)_2]·2H_2O}_n
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摘要 通过Zn(NO3)2.6H2O与KSCN和N,N′-双-3-吡啶甲酰基哌嗪(bpfp)在甲醇和水的混合溶剂中自组装,制备出了配位聚合物{[Zn(bpfp)(NCS)2(H2O)2].2H2O}n,并通过X射线衍射测定了其晶体结构.结果表明,该晶体属于三斜晶系,空间群为P-1,晶胞参数为:a=0.836 23(17)nm,b=1.004 7(2)nm,c=0.756 40(15)nm,α=100.02(3)°,β=100.57(3)°,γ=74.76(3)°,V=5.974(2)nm3,Z=1,Mr=549.92,Dc=1.529 mg/m3,F(000)=284,μ=1.248 mm-1.通过对其晶体结构的研究发现,每个锌离子均处于一个稍微扭曲的八面体配位环境中,锌离子与锌离子之间通过桥联配体bpfp哌嗪连接成无限延伸的一维长链,在同一链上相邻的2个锌离子之间的距离为1.292 0 nm.另外,在固态结构中,链与链之间相互平行并且还存在着O—H…O氢键和π-π相互作用. Coordination polymer { [-Zn (bpfp) (NCS) 2 ( H2 O) 2 ] · 2 H2O }n ( bpfp = N, N'-bis ( 3-pyridyl formyl)piperazine) has been synthesized by the reaction of Zn(NO3)2 · 6H2O with KSCN and N,N’-bis(3-pyridyl formyl)piperazine (bpfp) in the H2O-CH2OH solution, and structurally characterized by single crystal X ray diffraction. The results reveal that the colorless crystal is formed in the trielinic system, space group P-1,a= 0.836 23(17) nm, b=1. 00 47(2) nm, c= 0. 756 40(15) nm,α=100.02(3)°,β=100.57(3)°,γ=74.76(3)°.V=5.974(2)nm^3,Z-1,M=549.92.D.=1.529mg/m^3,F(000)=284,μ=1.248mm^-1. Studies of its crystal structure show that each Zn( Ⅱ ) ion is located in a slightly distorted oetahedral geometry. The Zn( Ⅱ ) ions are bridged by bpfp leading to an infinite one-dimensional linear chain structure, and the Zn-Zn distance is 1. 292 0 nm. Furthermore, in the solid-state, the linear chains are stacked with parallel fashion and there are O-H…O hydrogen bonds and n-n interactions between adjacent chains.
机构地区 郑州大学化学系
出处 《郑州大学学报(理学版)》 CAS 2006年第1期91-94,共4页 Journal of Zhengzhou University:Natural Science Edition
基金 郑州大学引进人才项目
关键词 配位聚合物 晶体结构 N N’-双-3-吡啶甲酰基哌嗪 coordination polymer crystal structure zinc N, N'-bis (3-pyridylformyl) piperazine
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