基于八配位铁的化合物(H2prz)[Fe(bpdc)2]·3H2O的合成、晶体结构及磁性质(英文)
Synthesis, Crystal Structure, Magnetic Properties of a Compound Based on Eight-Coordinated Iron(Ⅱ) Ion
作者单位
顾金忠 兰州大学功能有机分子化学国家重点实验室甘肃省有色金属化学与资源利用重点实验室兰州大学化学化工学院兰州 730000 
高竹青 太原科技大学化学与生物工程学院太原 030021 
摘要: 通过水热方法,采用H2bpdc(H2bpdc=2,2′-bipyridine-6,6′-dicarboxylic acid)和prz(prz=piperazine)与FeSO4·7H2O反应,合成了一个质子传递化合物(H2prz)[Fe(bpdc)2]·3H2O (1),并对其结构、热稳定性和磁性质进行了研究。结构分析结果表明该化合物的晶体属于单斜晶系,P21/n空间群。该化合物的分子由1个[Fe(bpdc)2]2-阴离子,1个H2prz2+阳离子和3个水分子组成。其中,Fe原子采取了少见的八配位畸变的十二面体构型。这些化合物分子通过分子间的氢键和π-π堆积作用形成了1个三维的超分子框架。
关键词: 质子传递化合物  八配位铁(Ⅱ)配合物  氢键  π-π堆积
基金项目: 
Abstract: A 1∶1 proton-transfer compound, namely (H2prz)[Fe(bpdc)2]·3H2O (1) (H2bpdc=2,2′-bipyridine-6,6′-dicarboxylic acid and prz=piperazine) has been obtained by hydrothermal method and characterized by single crystal X-ray diffraction. Compound 1 crystallizes in monoclinic space group P21/n, with a=0.954 10(12) nm, b=2.196 1(3) nm, c=1.252 54(15) nm, β=91.295(5)°, V=2.623 8(5) nm3, Z=4, R=0.059 1 and wR=0.144 4 (I>2σ(I)). Single crystal X-ray diffraction analysis reveals that compound 1 consists of discrete anion of [Fe(bpdc)2]2-, piperazinium cation (H2prz2+), and three water molecules, in which Fe(Ⅱ) ion is eight-coordinated with four N atoms and four O atoms, resulting in a distorted dodecahedral coordination geometry. The complex 1 further extends its structure into a three-dimensional supramolecular architecture by intermolecular strong O-H…O and N-H…O hydrogen bonds and weak π-π stacking interactions. CCDC: 779876.
Keywords: proton-transfer compound  eight-coordinated iron(Ⅱ) complex  hydrogen-bond π-π stacking
 
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顾金忠,高竹青.基于八配位铁的化合物(H2prz)[Fe(bpdc)2]·3H2O的合成、晶体结构及磁性质(英文)[J].无机化学学报,2012,28(5):1038-1042.
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