[Cu(Phen)_3][DTB]·6H_2O的合成与晶体结构

利用螯合配体1,10-邻菲咯啉(Phen)与2,2′-二硫代二苯甲酸(H2DTB)的钠盐及氢氧化铜反应合成了一种新型配合物[Cu(Phen)3][DTB].6H2O,通过元素分析、红外光谱和X射线单晶衍射等技术对其进行了表征.配合物属单斜晶系,空间群P2(1)/c,晶胞参数:a=1.822(2)nm,b=3.053(4)nm,c=2.016(3)nm,α=90°,β=106.28(4)°,γ=90°,Z=8,V=10.762(25)nm3,Dc=1.255 g/cm3,Mr=1016.57.该配合物晶体结构由配阳离子[Cu(Phen)3]2+和未配位的反荷阴离子[DTB]2-和晶格水分子组成.每个Cu(Ⅱ)原子与来自三个Phen的6个N原子配位,形成畸变的八面体结构单元.

Synthesis and Crystal Structure of a New Copper(Ⅱ) Complex [Cu(Phen)3][DTB]·6H2O

A new copper complex,[Cu(Phen)_3][DTB]·6H_2O(Phen = 1,10-phenanthroline,H2DTB=2,2′-dithiodibenzoic acid) was synthesized and characterized by elemental analysis,IR and single crystal X-ray diffraction.The crystal belongs to monoclinic system,the space group is P2(1)/c,with the crystal cell paramenters a = 1.822(2) nm,b = 3.053(4) nm,c = 2.016(3) nm,α = 90°,β = 106.28(4)°,γ = 90°,Z = 8,V = 10.762(25) nm3,Dc = 1.255 g/cm3,Mr = 1016.57.The crystal structure of [Cu(Phen)_3][DTB]·6H_2O involves the anion part(DTB) and the cation part([Cu(Phen)3]2+) which composes of a octahedron coordinated copper center surrounded by six nitrogen atoms from three Phen rings.