2024 : 11 : 23
Ghodrat Mahmoudi

Ghodrat Mahmoudi

Academic rank: Associate Professor
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Education: PhD.
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Research

Title
Supramolecular Co(II) complexes based on dithiolate and dicarboxylate ligands: Crystal structures, theoretical studies, magnetic properties, and catalytic activity studies in photocatalytic hydrogen evolution
Type
JournalPaper
Keywords
Supramolecular assembliesCo(II)Crystal structuresHirshfeld surface analysisMagnetic studiesPhotocatalytic hydrogen evolution
Year
2023
Journal Journal of Molecular Structure
DOI
Researchers Suman Adhikari ، Afzal HussainSheikh ، Sevgi Kansız ، Necmi Dege ، Nabajyoti Baildya ، Ghodrat Mahmoudi ، Nurul Alam Choudhury ، Raymond J. Butcher, ، Werner Kaminsky ، Savannah Talledo ، Eric M. Lopato ، Stefan Bernhard ، Julia Kłak

Abstract

Two supramolecular Co(II)-based coordination compounds have been harvested from dithiolate and dicarboxylate ligands. They have been structurally characterized by FT-IR, elemental analysis, and single crystal X-ray diffraction. Salt 1 consists of two ([tris (2-aminoethyl) amine Co] 1,1-dicyano-2,2-ethylenedithiolate)+ per thiosulphate ion linked through intermolecular hydrogen bonds. Compound 2, (pyridine-2,6-dicarboxylate)2Co-5H2Osingle bondCo).2H2O, is stabilized by intramolecular O−H···O hydrogen bonds, building ribbons that propagate along the [100] direction in the crystals. From HS analysis, it is observed that the major non-covalent interactions present in 1 are C−H···O, N−H···N, N−H···S, and N−H···O hydrogen bonds, which play an important role in stabilizing the crystal structure. In 2, out of all the non-covalent interactions, O···H/H···O interactions have major contributions to stabilize the crystal structure. Theoretical investigation on the molecular structures of the crystals also revealed that the major stabilizing factor for 1 is H-bonding along with π-π stacking while that for 2 is co-ordinate bond between water and cobalt(II) ion. Direct current variable-temperature magnetic susceptibility measurements carried out on polycrystalline samples of 1 and 2 in the temperature range of 1.8–300 K shows the presence of magnetic anisotropy of the cobalt(II) ion in 1 and weak intermolecular exchange in 2. Further, both the compounds 1 and 2 are found to be highly efficient water reduction catalysts in terms of per Co turn-over-numbers at lower concentrations.