Publication: Synthesis, crystal structures, molecular simulations for hydrogen gas adsorption, fluorescent and antimicrobial properties of pyrazine-2,3-dicarboxylate complexes
Program
KU-Authors
KU Authors
Co-Authors
Gunay, Gunes
Yesilel, Okan Zafer
Darcan, Cihan
Buyukgungor, Orhan
Publication Date
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Type
Embargo Status
Journal Title
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Volume Title
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Abstract
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 center dot center dot center dot 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 center dot center dot center dot pi and pi center dot center dot center dot pi 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.
Source
Publisher
Elsevier Science Sa
Subject
Chemistry, inorganic, Nuclear
Citation
Has Part
Source
Inorganica Chimica Acta
Book Series Title
Edition
DOI
10.1016/j.ica.2012.12.036