由4,4’-(乙烷-1,2-二氧基)-二苯甲酸构筑的钴(II)配合物的水热合成与晶体结构

Hydrothermal Synthesis and Crystal Structure of a Cobalt(II) Coordination Polymer Assembled by 4,4?-(Ethane-1,2-diyldioxy)dibenzoic Acid

摘要: 采用水热法合成了一个分子式为[Co(eoba)(phen)(H₂O)₂]•H₂O的配合物(H₂boba = 4,4’-(乙烷-1,2-二氧基)-二苯甲酸，phen = 1,10-邻菲咯啉)，并对其进行了元素分析、红外光谱、热重和X-射线单晶衍射的结构解析。该配合物(C₂₈H₂₆CoN₂O₉)属于单斜晶系，P2(1)/c空间群，晶体学数据：a = 13.708(5) Å，b = 20.237(5) Å，c =10.158(5) Å，β = 105.071(5)˚，V = 2721.0(18) ų，Mr = 593.44，D_c = 1.449 g/cm³，μ(MoKα) = 0.688 mm^-1，F(000) = 1228，Z = 4。直接法解析原子位置的结果显示：R = 0.0409，wR = 0.0933。该配合物为二维网状结构，并通过氢键和π–π堆积形成超分子结构。

Abstract: A coordination polymer formulated as [Co(eoba)(phen)(H₂O)₂]•H₂O (H₂boba = 4,4΄-(ethane- 1,2-diyldioxy) dibenzoic acid, phen = 1,10-phenanthroline) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. The title compound (C₂₈H₂₆CoN₂O₉) crystallizes in the monoclinic system, space group P2(1)/c with a = 13.708(5) Å, b = 20.237(5) Å, c = 10.158(5) Å, β = 105.071(5)˚, V = 2721.0(18) ų, Mr = 593.44, D_c= 1.449 g/cm³, μ(MoKα) = 0.688 mm^-1, F(000) = 1228, Z = 4, the final R = 0.0409 and wR = 0.0933. It exhibits a two-dimensional network structure and extended into a supramolecular framework through hydrogen bonds and π-π interactions.