三维柔性羧酸配位聚合物[Ba(tzda)(H_2O)_3]_n的合成与晶体结构

Synthesis and Crystal Structure of 3D Coordination Polymer [Ba(tzda)(H_2O)_3]_n Constructed by Flexible Carboxylic Acid

合成了三维的配位聚合物[Ba(tzda)(H2O)3]n(H2tzda为1,3,4-噻二唑-2,5-二硫代乙酸),对其进行了元素分析、红外和X-射线单晶衍射等表征.晶体[Ba(tzda)(H2O)3]n属三斜晶系,空间群P1,晶胞参数a=0.746 79(9)nm,b=0.81618(10)nm,c=1.34333(17)nm,α=107.2990(10)o,β=91.8850(10)o,γ=111.8700(10)o,Z=2.晶体结构中,钡离子与九个氧原子配位,其中六个氧原子来自于五个tzda2-配体,另外三个来自于水分子.配体tzda2-的两个羧基则分别采用了μ3-η2:η2和μ2-η1:η1两种不同的配位模式将Ba(II)离子连接起来形成复杂的三维网状结构.

A novel 3 D coordination polymer, [ Ba （tzda） （ H2O） 3 ] n （ H2 tzda=（ 1,3,4 - thiadiazole - 2,5 - diyldi- thio） diacetic acid） , has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. The title complex crystallizes in triclinic space group P1, with a = 0. 746 79 （9） nm, b = 0. 816 18 （10） nm, c=1.343 33（17） nm, α=107.2990（10）°,β= 91.8850（10）°, y=111.8700（10）° and Z=2. In the structure, the Ba（II） ion is nine-coordinated by six carboxyl oxygen atoms from five different tzda^2- ligands and three water molecules. The two carboxyl groups of each tzda^2- ligand display μ3 - η^2：η^2 and μ2 - η^1：η^1 bridging mode, respectively, to link Ba ions and then form complicate three-dimensional network structure.