三重氢键作用力构筑的4-(1,2,4-三氮唑-亚甲基)苯甲酸超分子聚合物的合成与晶体结构

Syntheses and crystal structures of polymers 4-(1,2,4-triazol-yl)methyl-benzoic acid based on triple hydrogen bonds interactions

为构造新型配位聚合物选择良好配体,以便合成新型超分子聚合物,本文以4-(1,2,4-三氮唑-亚甲基)苯甲酸为基元,在水热持续升温170℃并加入适量DMF的溶剂体系条件下,得到了无色透明棒状超分子聚合物[C_(10)H_9N_3O_2]n,并通过X射线单晶衍射、元素分析、红外分析、X射线粉末衍射和荧光等对其结构与性能进行了表征.X射线单晶衍射结构表明:聚合物是由三重氢键(一个强N-H…O和两个弱C-H…O)构筑的三维网络状结构;聚合物为单斜晶系,P21空间群,晶胞参数为a=4.319 6(10)、b=19.101(5)、c=5.830 8(13)、V=479.55(19)~3、Dc=1.407g·cm^(-3)、Z=2.

In order to choose appropriated ligand constructed newly coordination polymer and synthesize novel structure of supramolecular polymers ,[C10 H9 N3 O2 ]n ,a colorless rod‐like crystal supramolecular polymers based on 4‐（1 ,2 ,4‐triazol‐yl）methyl‐benzoic acid units , which was under the condition of persistent overheating to 170 ℃ hydrothermal with the sys‐tem of appropriate DM F had been synthesized and characterized by X‐ray single crystal dif‐fraction ,elemental analysis ,IR spectra ,X‐ray powder diffraction and phosphorescent emis‐sions .X‐ray single crystal analysis of polymers shows a 3D supermolecular network by triple hydrogen bonds which was one strong N -H……O hydrogen bond and two kinds C -H …… O hydrogen bonds .The structure parameters were analyzed as follows ：monoclinic ,P21 ,a=4 .319 6（10）A° ,b=19 .101（5）A°,c=5 .830 8（13）A° ,V = 479 .55（19）A°3 ,Dc=1 .407 g ·cm -3 , Z=2.