Two new Zn(II)/Co(II) coordination polymers, [Zn_1.5(pmda)(OH)(bipy)]_2n·2nH₂O (1) and [Co(pmda)(bib)]_n (2) (H₂pmda = 4,4′-[1,2-phenylenebis(methyleneoxy)]dibenzoic acid, bipy = 4,4′-bipyridine, bib = 1,4-bis(imidazol-1-yl)-butane), have been prepared under hydrothermal conditions. Their structure were determined by single-crystal X-ray diffraction analysis, and further characterized by elemental analysis, IR spectra TG, and powder X-ray diffraction analysis. Complexes 1 and 2 both exhibit two-dimensional network structures and the intermolecular hydrogen bonding, π-π stacking interactions extend them into 3D supramolecular architectures, which play an important role in stabilizing them. The solid-state luminescent property of 1 and 2 were characterized and the results revealed that they exhibit fascinating photoluminescence properties. In addition, the sensing property of only 1 has been examined briefly. The quantum-chemical calculations of complex 1 have been performed on ‘molecular fragments’ extracted from the crystal structure using the PBE0/LANL2DZ method built in Gaussian 16 Program.

两种新的Zn（II）/ Co（II）配位聚合物[Zn _1.5（pmda）（OH）（bipy）] _2n ·2nH ₂ O （1）和[Co（pmda）（bib）] _n （2）（ H ₂ pmda  =  4,4'-[1,2，亚苯基双（亚甲氧基）]二苯甲酸，bipy = 4,4'-联吡啶，bib = 1,4-双（咪唑-1-基）-丁烷）在水热条件下制备。它们的结构通过单晶X射线衍射分析来确定，并且进一步通过元素分析，IR光谱TG和粉末X射线衍射分析来表征。配合物1和2两者均显示二维网络结构，并且分子间氢键，π-π堆叠相互作用将它们扩展为3D超分子体系结构，这在稳定它们方面起着重要作用。对1和2的固态发光特性进行了表征，结果表明它们表现出令人着迷的光致发光特性。此外，仅对1的感测特性进行了简要检查。配合物1的量子化学计算是使用高斯16程序中建立的PBE0 / LANL2DZ方法对从晶体结构中提取的“分子片段”进行的。