一个新的有机二磺酸铁(Ⅲ)配合物的合成与结构  

The Synthesis and Structure of a New Fe(Ⅲ) Complex based on Organic Disulfonic Acid

作　　者：宁卫红 张昌朋 徐国海[1,2] 周中高 杨瑞卿[1,2] 谢永荣 NING Weihong;ZHANG Changpeng;XU Guohai;ZHOU Zhonggao;YANG Ruiqing;XIE Yongrong(Shool of Chemistry and Chemical Engineering,Gannan Normal University,Ganzhou 341000,China;Key Laboratory of Jiangxi University for Functional Materials Chemistry,Gannan Normal University,Ganzhou 341000,China)

机构地区：[1]赣南师范大学化学化工学院,江西赣州341000 [2]赣南师范大学江西省高校功能材料化学重点实验室,江西赣州341000

出　　处：《赣南师范大学学报》2019年第6期70-73,共4页Journal of Gannan Normal University

基　　金：国家自然科学基金资助项目(21461002,21562002)。

摘　　要：一个新型单核配合物[Fe(MeCN)2(H2O)4]·HL (1)由FeCl3·6H2O、2,4-二羟基-1,5-苯二磺酸(H4L)在乙腈(MeCN)的水溶液中反应获得,并测定了其晶体结构.在配合物1中,阳离子组分[Fe(MeCN)2(H2O)4]3+含有Fe(Ⅲ)中心是六配位,呈现八面体几何形状,其中两个乙腈分子互为反向占据Fe(Ⅲ)中心的轴向位置,四个水分子在赤道线与Fe(Ⅲ)配位.阴离子HL3-提供电荷平衡,其平面处于近似垂直于两个乙腈分子所在的阳离子轴.有趣的是,配合物1通过水分子、酚羟基与磺酸基之间的氢键作用和乙腈分子与阴离子上苯环之间的CH…π相互作用形成三维超分子配位聚合物.配合物1的晶体数据为:C10H17FeN2O12S2,M=477.23,空间群为I-42d,a=b=13.304 2(10)?,c=21.484 8(4)?,α=γ=β=90°,V=3 802.85(8)?3,z=8,Dc=1.667 Mg/m3,R1=0.0404,wR2=0.0957.A novel mononuclear complex [Fe(MeCN)2(H2O)4]·HL(1) has been synthesized from the reaction of FeCl3·6 H2O, 2,4-dihydroxyl-1,5-benzenedisulfonic acid(H4L) in the acetonitrile aqueous solution, and characterized by X-ray diffraction. In complex 1, the cationic component [Fe(MeCN)2(H2O)4]3+ contains a Fe(Ⅲ) center which is hexa-coordinated, exhibiting an octahedral geometry, where two acetonitrile molecules occupy the axial positions of the Fe(Ⅲ) center in a trans fashion and four water molecules coordinate to Fe(Ⅲ) equatorially. The charge balance is provided by the anionic HL3-, the plane of which is approximately perpendicular to the cationic axis where two MeCN molecules reside in. Interestingly, the three-dimensional supramolecular structure is formed by hydrogen bondings between water molecules,phenolic hydroxyl groups and sulfonic acid groups, and C-H...π interactions between acetonitrile molecules and anionic benzene rings.The crystallographic information of complex 1: C10H17FeN2O12S2, M=477.23, space group I-42 d, a=b=13.3042(10)?, c=21.4848(4)?, α=γ=β=90°, V=3802.85(8)?3, z=8, Dc=1.667 Mg/m3, R1=0.0404, wR2=0.0957.

关 键 词：溶液法 2 4-二羟基-1 5-苯二磺酸 铁(III) 配合物 

分 类 号：O614.81[理学—无机化学]