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      https://www.ias.ac.in/article/fulltext/jcsc/133/0018

    • Keywords

       

      Symmetric ligand; Single-crystal X-ray Diffraction; Characterization; DFT; Nitrite detection

    • Abstract

       

      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)

    • Graphical Abstract

       

      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-

    • Author Affiliations

       

      KHALED AIT RAMDANE1 2 ACHOUR TERBOUCHE2 CHAFIA AIT RAMDANETERBOUCHE2 HOURIA LAKHDARI2 KHALDOUN BACHARI2 HOCINE MERAZIG3 THIERRY ROISNEL4 DIDIER HAUCHARD5 DJILLALI MEZAOUI1

      1. Laboratoire Sciences des Mate´riaux, Faculte´ de Chimie, Universite´ USTHB, 16111 Algers, Algeria
      2. Centre de Recherche Scientifique et Technique en Analyses Physico-chimiques (CRAPC), BP384, Bou-Ismail, RP 42004, Tipasa, Algeria
      3. Unite´ de Recherche de Chimie de l’Environnementet et Mole´culaire Structurale, CHEMS, Faculte des Sciences Exactes, Universite´ Fre`res Mentouri Constantine, Chaabet Ersas, Route Ain El Bey, BP 325,25017 Constantine, Algerie
      4. CNRS, ISCR (Institut des Sciences Chimiques de Rennes), UMR 6226, Universite´ de Rennes1,35000 Rennes, France
      5. Institut des Sciences Chimiques de Rennes, UMR CNRS 6226, Ecole Nationale Supe´rieure de Chimie de Rennes, 11 Alle´e de Beaulieu, 35708 Rennes, France
    • Dates

       
  • Journal of Chemical Sciences | News

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