新型葫六环联脲桥联双核钆(Ⅲ)配合物的合成、晶体结构及其热稳定性

Synthesis,Crystal Structure and Thermal Stability of a Novel Binuclear Gadolinium(Ⅲ) Complex Bridged by Cucurbit[6]uril

设计并合成了一个新型的葫六环联脲(Q6)桥联的双核钆新型配合物———{[Gd(H2O)6]2[Q6(H2O)]}Cl6.4H2O(1),其结构经单晶X-射线衍射,IR和元素分析表征。1属单斜晶系,P21/c空间群,晶胞参数a=12.179(2),b=19.704(4),c=14.579(3),β=112.79(3)°,V=3 225.5(11)3,Z=2,Mr=1 830.36,Dc=1.885 Mg.m-3,F(000)=1 832,μ=2.39 mm-1,GOF=1.079,R1=0.036,wR2=0.098。在1的分子结构中,Q6起着一个双-双齿配体的作用,每个Gd(Ⅲ)和Q6的两个相邻的羰基氧原子及来自六个水分子的六个氧原子配位,Q6的空腔内有一个无序的客体水分子,氢键使1形成三维超分子结构。热分析研究表明,1的热稳定性较好。

A novel cucurbit[6]uril bridged binuclear complex,{[Gd（H2O）6]2[Q6 （H2O）]}Cl6·4H2O（1）,was designed and synthesized.The structure was characterized by X-ray single crystal diffraction,IR and elemental analysis.1 belongs to monoclinic,space group P21/c with a=12.179（2） ,b=19.704（4） ,c=14.579（3） ,β=112.79（3）°,V=3 225.5（11）  3,Z=2,Mr=1 830.36,Dc=1.885 Mg·m-3,F（000）=1 832,μ=2.39 mm- 1,GOF=1.079,R1=0.036,wR2=0.098.1 has an extended cucurbit[6]uril- bridged structure consisting of two gadolinium（Ⅲ） ions,in which each gadolinium（Ⅲ） ion is coordinated by two neighboring carbonylic oxygen atoms of Q6 and six oxygen atoms of water molecules that leans toward one side of the portal.One disordered guest water molecule resides in the Q6 molecule cavity and occupies two different positions.Hydrogen bonds assemble the complex to three-dimensional supramolecular structure.The thermal studies showed that 1 exhibited higher thermal stability.