• HOCINE MERAZIG

      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.

    • Crystal structure, characterization and chemical reactivity of novel piperazine derivative ligand for electrochemical recognition of nitrite anion

      KHALED AIT RAMDANE ACHOUR TERBOUCHE CHAFIA AIT RAMDANETERBOUCHE HOURIA LAKHDARI KHALDOUN BACHARI HOCINE MERAZIG THIERRY ROISNEL DIDIER HAUCHARD DJILLALI MEZAOUI

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      A novel piperazine derivative (3E,3¢E)-3,3¢-(((piperazine-1,4-diyl bis (ethane-2,1-diyl)) bis (azanediyl)) bis (ethan1-yl-1-ylidene)) bis (6-methyl-2H-pyran-2,4(3H)-dione) (2E-Peaemp) has been synthesized and characterized by ESI-MS, Single-crystal X-ray diffraction, NMR (1H NMR, 13C NMR and 2D NMR), ATR-FTIR, UV-Visible and SEM. The theoretical study of chemical reactivity of 2E-Peaemp was investigated using DFT method. The oxidation-reduction processes and interaction between 2E-Peaemp and nitrite ions were studied using cyclic voltammetry technique. In addition, the detection of NO2- was investigated in 0.1 M PBS solution (pH = 7.0) using a carbon paste electrode modified with reduced graphene oxide-graphite carbon/2E-Peaemp system (rGO-GC/2E-Peaemp). XRD study showed that 2E-Peaemp crystallizes in a monoclinic system with P21/c space group, and the results obtained from theoretical study well support the experimental results. According to DFT study, HOMO (Highest Occupied Molecular Orbitals)-LUMO (Lowest Unoccupied Molecular Orbitals) energy gap (Egap) and other reactivity descriptors were calculated. The results showed that the ligand exhibits a high chemical reactivity and low kinetic stability. Finally, the cyclic voltammetry measurements showed significant current responses of rGO-GC/2EPeaemp electrode towards NO2- in the concentration range of 0–4 mM with a low limit of detection (LOD = 0.83 lM)

      New ligand (2E-Peaemp: (3E,3¢E)-3,3¢-(((piperazine-1,4-diyl bis (ethane-2,1-diyl)) bis (azanediyl)) bis (ethan1-yl-1-ylidene)) bis (6-methyl-2H-pyran-2,4(3H)-dione)) has been synthesized and characterized by XRD technique. The reactivity descriptors have been calculated by DFT. The ligand was used for electrochemical recognition of nitrite anion. The cyclic voltammetry showed that the modified electrode with 2E-Peaemp exhibits low detection limit towards NO2New ligand (2E-Peaemp: (3E,3′E)-3,3′-(((piperazine-1,4-diyl bis (ethane-2,1-diyl)) bis (azanediyl)) bis (ethan1-yl-1-ylidene)) bis (6-methyl-2H-pyran-2,4(3H)-dione)) has been synthesized and characterized by XRD technique. The reactivity descriptors have been calculated by DFT. The ligand was used for electrochemical recognition of nitrite anion. The cyclic voltammetry showed that the modified electrode with 2E-Peaemp exhibits low detection limit towards NO2-

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