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利用四氮唑-1-乙酸(Htza)和1,10-邻菲罗啉(phen)混合配体与三氟甲基磺酸铜(Cu(CF3SO3)2)在常温条件下反应得到1个单核Cu(Ⅱ)配合物[Cu(tza)(phen)2]2·(CF3SO3)2·0.5H2O(简称配合物1).通过元素分析、红外光谱、单晶X-射线衍射和粉末X-射线衍射对其组成和结构进行了表征.单晶X-射线衍射分析结果表明,配合物1是通过单核阳离子[Cu(tza)(phen)2]2+和CF3SO3-阴离子之间的静电引力,1,10-邻菲罗啉芳香环之间的π-π堆积作用,以及四氮唑杂环与晶格水之间的OH幆N弱氢键作用形成的稳定的三维超分子结构.对配合物1的电化学性质进行了初步研究,并利用量子化学计算对配合物1金属离子的六配位畸变八面体构型进行了理论研究.
The reaction between tetrazolium-1-acetic acid (Htza) and 1,10-phenanthroline (phen) and copper trifluoromethanesulfonate (Cu (CF3SO3) 2) (Cu (tza) (phen) 2] 2 · (CF3SO3) 2 · 0.5H2O (abbreviated as complex 1) by elemental analysis, IR, single crystal X-ray diffraction and powder X- The composition and structure of the complexes were characterized by XRD.The results of single crystal X-ray diffraction showed that the complex 1 was prepared by electrostatic attraction between mononuclear cation [Cu (tza) (phen) 2] 2+ and CF3SO3- Π-π stacking between the aromatic rings of 1,10-phenanthroline and the stable three-dimensional supramolecular structure formed by the weak hydrogen bond of OH 幆 N between the tetrazolium ring and the lattice water The electrochemical properties of complex 1 were studied preliminarily, and the six coordination distorted octahedral configuration of complex 1 metal ions was studied theoretically by quantum chemical calculation.