Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Coordination Polymers With the Pyrazine-2,5-Diyldimethanol Linker – Supramolecular Networks Through Robust Hydrogen and Halogen Bonds

Version 1 : Received: 31 May 2023 / Approved: 31 May 2023 / Online: 31 May 2023 (14:33:34 CEST)

A peer-reviewed article of this Preprint also exists.

Armaghan, M.; Stürzer, T.; Janiak, C. Coordination Polymers with a Pyrazine-2,5-Diyldimethanol Linker: Supramolecular Networks through Hydrogen and Halogen Bonds. Crystals 2023, 13, 1193. Armaghan, M.; Stürzer, T.; Janiak, C. Coordination Polymers with a Pyrazine-2,5-Diyldimethanol Linker: Supramolecular Networks through Hydrogen and Halogen Bonds. Crystals 2023, 13, 1193.

Abstract

The synthesis and crystal structure of pyrazine-2,5-diyldimethanol (pzydmH2, C8H8N2O2) a new symmetric water-soluble N,O-chelating tetra-dentate organic ligand is reported and an environmentally friendly method was used to synthesize coordination compounds in water under ambient conditions from the reaction of pzydmH2 with the halide salts of Cu(II), Zn(II), Hg(II) and Cd(II): {[Cu(pzydmH2)0.5(µ-Br)(Br)(H2O)]·H2O}n 1, {[Zn2(pzydmH2)(µ-Cl)(Cl)3(H2O)]·H2O}n 2, [Hg2(pzydmH2)0.5(µ-Cl)2(Cl)2]n 3, {[Cd2(pzydmH2)(µ-Cl)4]·H2O}n 4, and {[Cd2(pzydmH2)(µ-Br)4]·H2O}n 5. Single-crystal X-ray diffraction analysis revealed that 1-3 are 1D coordination polymers and 4 and 5 are 3D coordination networks, all constructed by bridging pyrazine-2,5-diyldimethanol and halogen ions. The hydroxyl groups in the organic linker extend the 1D chains to non-covalent 3D networks. In all non-covalent and covalent 3D networks water molecules were trapped by strong hydrogen bond interactions. Supramolecular analysis revealed strong O-H···O, O-H···N, O-H···X and week of C-H···O, C-H···X (X = Cl, Br) hydrogen bonds, as well as π-π(pyrazine ring), metal-halogen···π(pyrazine ring) and O-H···ring(5-membered chelate ring) interactions. Also X···O weak halogen bonds are present in 1-5 (X = Cl and Br).

Keywords

Pyrazine-diyldimethanol; coordination polymers; hydrogen bonding interaction; halogen bonding interaction

Subject

Chemistry and Materials Science, Other

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