A New Dinuclear Gadolinium Complex Constructed from p-Phenylenediamine-N,N,N′,N′-tetraacetic Acid and in situ Generated Oxalate

作     者：于方永 郝志峰 李海峰 胡升 

作者机构：Faculty of Chemical Engineering and Light IndustryGuangdong University of Technology 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2012年第31卷第9期

页      面：1315-1321页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：the National Natural Science Foundation of China (No. 21001030 and 21101032) the Foundation for the Authors of Excellent Doctoral Dissertation of Guangdong Province (No. sybzzxm201048) the "211" Creative Project of Guangdong Province 

主　　题：Gd(III) complex crystal structure p-phenylenediamine-N,N,N',N'-tetraaceticacid oxalate 

摘      要：Routine solution reaction of Gd3＋ and p-phenylenediamine-N,N,N′,N′-tetraacetic acid （p-PhDTA） yields a dinuclear complex [Gd2（ox）（p-PhDTA）2（H2O）10]·6H2O （ox = oxalate）, which was characterized by single-crystal X-ray diffraction （MoKα radiation, = 0.71073）, elemental analysis and IR. This complex crystallizes in the monoclinic system, space group P21/n with a = 10.2522（8）, b = 10.0053（8）, c = 23.8834（18）, = 99.1080（10）°, V = 2419.0（3）3, Z = 2, Mr = 1367.32, Dc = 1.877 g/cm3, F（000） = 1368, = 2.830 mm-1, the final R = 0.0337 and wR = 0.0794 for 4747 observed reflections （I 〉 2 （I））. The exo-tetradentate oxalate ligand, generated in situ from the oxidative coupling of methanol, is incorporated to construct a dinuclear Gd2（ox）2 unit decorated with p-PhDTA ligands on the two sides with a monodentate coordination mode. The dinuclear molecules are further connected by the lattice water molecules to form a three-dimen- sional hydrogen network.