• FERIEL AOUATEF SAHKI

      Articles written in Journal of Chemical Sciences

    • Synthesis, X-ray structure and theoretical investigation of 2-(2'-quinolyl)benzimidazole metal complexes

      FERIEL AOUATEF SAHKI LYAMINE MESSAADIA HOCINE MERAZIG AISSA CHIBANI ABDELMALEK BOURAIOU SOFIANE BOUACIDA

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      Synthesis, characterization and DFT analysis of 2-(1H-benzo[d]imidazol-2-yl)quinoline (BQ) and its cobalt and manganese coordination compounds {Co(DMF)(BQ) Cl₂} and {Mn(DMF)(BQ) Cl₂} have been described. The ligand, 2-(1H-benzo[d]imidazol-2-yl)quinoline (BQ) crystallizes in non-centrosymmetric monoclinic crystal system with cell parameters a = 12.9280(4) Å, b = 7.9429(3) Å, c = 25.8478(9) Å, α =γ = 90◦, β = 103.005(2)◦. {Co(DMF)(BQ)Cl₂} and {Mn(DMF)(BQ)Cl₂} crystallized in triclinic space group P-1. The metal(II) environment exhibits trigonal bipyramidal coordination. These complexes show presence of N–H. . .Cl, C–H...Cl hydrogen bonds and strong intramolecular C–H...O interactions. The structure parameters were calculated and they are in good agreement with those observed experimentally. Theoretically calculated frontier molecular orbitals (HOMO–LUMO) of the complexes and their energies indicate intermolecular chargetransfer and delocalization of electron density within the molecule.

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