Synthesis, crystal structures, molecular simulations for hydrogen gas adsorption, fluorescent and antimicrobial properties of pyrazine-2,3-dicarboxylate complexes

Eight new pyrazine-2,3-dicarboxylate complexes have been synthesized and structurally characterized. The pzdc ligand bridges two neighboring metal atoms to form a 1D chain in complexes 1, 3–8. The structure of the complex 2 is mononuclear. It is noted that when dimethylformamide was replaced by methanol, a 1-D double-chain structure of 3 was formed instead of the mononuclear structure of 2. The most interesting feature of 3 is the presence of C–H⋯Cu close hydrogen bonding interactions. In complexes, the pzdc ligand exhibits four kinds of coordination modes. The adjacent chains are held together by hydrogen bonds, C–H⋯π and π⋯π interactions, forming three-dimensional network. Complexes 4–8 exhibit strong fluorescent emission bands in the solid state at room temperature. Atomically detailed simulations were used to assess the potential of complexes in gas storage applications. Complexes 2 and 7 have showed antimicrobial activity on studied microorganisms.

Eight pzdc complexes with N-donor ligands have been synthesized and characterized. The results in this study show that the pzdc ligand exhibits different coordination modes and solvent effect plays an important role in the construction of coordination architectures. The photoluminescence properties of compounds 4–8 have been examined..Figure optionsDownload as PowerPoint slideHighlights
► Eight new pyrazine-2,3-dicarboxylate complexes have been synthesized and structurally characterized.
► The interesting feature of this study is the presence of C–H⋯Cu close hydrogen bonding interactions.
► Some of the complexes show that solvents play an important role in the construction of discrete coordination architectures.
► Complexes exhibit strong fluorescent emission bands in the solid state at room temperature.
► Complexes have showed antimicrobial activity on studied microorganisms.