• THIERRY ROISNEL

      Articles written in Journal of Chemical Sciences

    • Synthesis and structural characterization of a diruthenium pentalene complex, [Cp∗Ru{(Cp∗Ru)2B6H14}(Cp∗Ru)]

      BENSON JOSEPH SUBRAT KUMAR BARIK SOUMYA KUMAR SINHA THIERRY ROISNEL SUNDARGOPAL GHOSH

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      Treatment of nido-[1,2-(Cp*Ru)2(μ-H)2B3H7], 1 with five equivalents of Te powder led to the isolation of diruthenium pentalene analogue [(Cp*Ru){(Cp*Ru)2B6H14}(RuCp*)], 2 and a metal indenyl complex [(Cp*Ru)2B2H6C6H3 CH3], 3. The [(Cp*Ru)2B6H14] fragment in 2 may be considered as a true metal–boron analogue of η55-pentalene ligand (C8H6) and [(Cp*Ru)B2H6C6H3 CH3] fragment in 3 is an analogue of η5-indenyl ligand. The solid-state X-ray structures were unambiguously determined by crystallographic analysis of compounds 2 and 3. Further, the density functional theory (DFT) calculationswere performed to investigate the bonding and the electronic properties of 2a (Cp analogue of 2). The frontier molecular orbital analysis of both 2a and 2b (Cp analogue of [(Cp*Ru)B8H14(RuCp*)]) reveals a lower HOMO–LUMO gap indicating less thermodynamic stability

    • Syntheses and structures of chalcogen-bridged binuclear group 5 and 6 metal complexes

      MOULIKA BHATTACHARYYA RINI PRAKASH CHANDAN NANDI MONOJIT GHOSAL CHOWDHURY BEESAM RAGHAVENDRA THIERRY ROISNEL SUNDARGOPAL GHOSH

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      Syntheses and structural elucidations of a series of chalcogen stabilized binuclear complexes of group 5 and 6 transition metals have been described. Room temperature reaction of [Cp*CrCl]2 (Cp* = h5- C5Me5) with Li[BH3(SePh)] afforded a Se inserted binuclear chromium complex, [(Cp*Cr)2(m-Se2SePh)2], 1.In an attempt to make the analogous complexes with heavier group 6 metals, reactions of [Cp*MCl4] (M = Mo and W) with Li[BH3(SePh)] were carried out that yielded Se inserted binuclear complexes [(Cp*M)2(m-Se)2(m-SePh)2], 2 and 3 (2: M = Mo and 3: M = W) along with known [(Cp*M)2B5H9], 4a–b (4a: M = Mo and 4b: M = W). Similarly, the reactions of [Cp*NbCl4] with Li[BH3(EPh)] (E = S or Se)followed by thermolysis led to the formation of binuclear chalcogen complexes [(Cp*Nb)2(m-E2)2], 5 and 6 (5: E = S and 6: E = Se) and known [(Cp*Nb)2(B2H6)6], 7. All these complexes have been characterized by 1H and 13C NMR spectroscopy and mass spectrometry. The structural integrity of complexes 1, 3, 5 and 6 was established by the X-ray diffraction studies. The DFT studies further exemplify the bonding interactions present in these complexes, especially the multiple bond character between the metals in 1–3.

    • Correction to: Syntheses and structures of chalcogen-bridged binuclear group 5 and 6 metal complexes

      MOULIKA BHATTACHARYYA RINI PRAKASH CHANDAN NANDI MONOJIT GHOSAL CHOWDHURY BEESAM RAGHAVENDRA THIERRY ROISNEL SUNDARGOPAL GHOSH

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    • 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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