4-氨基-3,5二-(4-吡啶基)-1,2,4三-氮唑-Cu(Ⅰ)配合物的溶剂热合成及结构表征

Synthesis and crystal structures of a new Cu(Ⅰ)-complex with 4-amino-3,5-bis(4-pyridyl)-1,2,4-triazole

采用CuBr与4-氨基-3,5-二(4-吡啶基)-1,2,4-三氮唑配体(4-abpt)在溶剂热条件下合成了配合物[CuBr(4-abpt)],并用红外光谱、元素分析及X-射线单晶衍射对其进行了结构表征.结果表明,该配合物中Cu(Ⅰ)呈现四面体配位几何,4-abpt采取μ3-桥连模式与μ3-Cu(Ⅰ)在ab平面形成了具有(4.82)拓扑结构的[Cu-(4-abpt)]层,相邻层间通过N-H…Br氢键作用和π-π堆积构筑成三维超分子网络.配合物结晶于单斜晶系,P2(1)/n空间群,a=0.768 97(6)nm,b=1.332 70(10)nm,c=1.263 38(9)nm,β=91.388(2),V=1.294 34(17)nm3,Z=4,S=1.050,R1=0.023 1,wR2=0.056 7[I>2σ(I)].

Solvothermal reaction of CuBr and 4-amino-3,5-bis（4-pyridyl）-1,2,4-triazole（4-abpt） generate a new complex [CuBr（4-abpt）],the structure of which was determined through infrared spectroscopy,elemental analysis and X-ray single crystal diffraction.Cu（Ⅰ） was four-coordinated with three N atoms and one Br anion,exhibiting tetrahedron geometry.μ3-bridged 4-abpt ligand connected μ3-Cu（Ⅰ） in ab plane and form a two-dimensional（2D） [Cu-（4-abpt）] layer with（4.82） topology.The 3-D supramolecular structures of title complex was constructed from 2D [Cu-（4-abpt）] layers through N-H…Br hydrogen bonds and π-π stacking.The crystal parameters for title complex： monoclinic,P2（1）/n;a=0.768 97（6） nm,b=1.332 70（10）nm,c=1.263 38（9） nm,β=91.388（2）,V=1.294 34（17）nm3,Z=4,S=1.050,R1=0.023 1,wR2=0.056 7 [I〉2σ（I）].