Thierry Roisnel

University of Science and Technology Houari Boumediene, Le Retour de la Chasse, Alger, Algeria

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Publications (492)1452.66 Total impact

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    ABSTRACT: Enantiomerically pure electron rich Cp2Mo(dithiolene) complexes have been synthesized from the enantiopure dithiolene ligands, namely the (R)- and the (S)-3(1-phenylethyl)-1,3-thiazoline-2-thione-4,5-dithiolate ligands. These heteroleptic molybdenum complexes act as very good electron donors, as demonstrated through electrochemical investigations. Both isomers form charge transfer salts with TCNQ with a 1:1 stoechiometry which have been characterized by single crystal X-ray diffraction, EPR and UV–vis spectroscopic investigations. Circular dichroism (CD) experiments were also carried out on the neutral (R) and (S) enantiomers as well as on the mono oxidized species of these Cp2Mo dithiolene complexes.
    Journal of Organometallic Chemistry 10/2015; 794. DOI:10.1016/j.jorganchem.2015.07.021 · 2.17 Impact Factor
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    ABSTRACT: We report the synthesis, characterization, crystal structures, nonlinear- optical (NLO) properties, and density functional theory (DFT) calculations of nickel(II) and copper(II) complexes based ONO tridentate Schiff base ligands: two mononuclear compounds, [Ni(An-ONO)(NC5H5)] (5) and [Cu(An-ONO)(4-NC5H4C(CH3)3)] (6), and two heterobimetallic species [M(Fc-ONO)(NC5H5)] (M = Ni, 7; Cu, 8), where An-ONOH2 (3) and Fc-ONOH2 (4) are the 1:1 condensation products of 2-aminophenol and, respectively, p-anisoylacetone and ferrocenoylacetone These compounds were characterised by microanalysis, FT-IR and X-ray crystallography in the solid-state, and in solution by UV-vis and 1H and 13C NMR spectroscopy. The crystal structures of 3-5, 7 and 8 have been determined and show for Schiff base complexes 5, 7 and 8 a four-coordinated square-planar environment for the nickel and copper ions. The electrochemical behavior of all derivatives 3-8 was investigated by cyclic voltammetry in dichloromethane, and discussed on the basis of DFT-computed electronic structures of the neutral and oxidized forms of the compounds. The second-order NLO responses of 3-8 have been determined by harmonic light scattering measurements using a 10-2 M solution of dichloromethane and working with a 1.91 μm incident wavelength, giving rather high β1.91 values of 350 and 290 x 10-30 esu found for the mononuclear species 5 and 6, respectively. The assignment and the nature of the electronic transitions observed in the UV−vis spectra were analyzed using time-dependent (TD) DFT calculations. They are dominated by LMCT, MLCT and π-π* transitions.
    Dalton Transactions 09/2015; DOI:10.1039/C5DT02822A · 4.20 Impact Factor
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    ABSTRACT: A series of new tetracoordinated Ni(II) complexes of general formula NiCl3(L) (Ni1, L = 1-(2-(2-methylimidazole-ethoxy)ethyl)-3,5-dimethylpyrazole; Ni2, L = 1-(2-(1,2-dimethylimizadole-ethoxy)ethyl)-pyrazole; Ni3, L = 1-(2-(1,2-dimethylimizadole-ethoxy)ethyl)-3,5-dimethyllpyrazole; Ni4, L = 1-(2-(2-n-butylimizadole-ethoxy)ethyl)-3,5-dimethylpyrazole) were prepared in high yields. All these complexes were characterized by elemental analysis, and X-ray crystallography was performed for Ni1, Ni2, and Ni3. In the solid state, these nickel complexes are monomeric with the pyrazolyl-ether-imidazolium acting as a monodentate ligand. The positive charge on the imidazolium unit is cancelled out by the negative charge that is provided by the third chloride ion linked to Ni(II), forming a zwitterionic structure. Upon activation with methylaluminoxane (MAO) or ethylaluminum sesquichloride (EASC), these complexes show moderate activity in ethylene oligomerization [TOF = 2100–29 300 (mol C2H4)·(mol Ni−1 h−1)] with good selectivities for 1-butene (80.4–89.8 wt% of total products), which vary according to the ligand environment. Under biphasic conditions, the Ni3/[Bmim]·[AlCl4]/toluene catalytic system proved to be active for ethylene oligomerization with a TOF of 10 700 (mol C2H4)·(mol Ni−1 h−1) and highly selective towards production of 1-butene (90.9 wt%).
    New Journal of Chemistry 09/2015; 39:7234. DOI:10.1039/C5NJ01538C · 3.09 Impact Factor
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    ABSTRACT: The synthesis of N-arylated pyrroles and indoles is documented, as well as their functionalization by deprotonative metallation using the base in situ prepared from LiTMP and ZnCl2·TMEDA (1/3 equiv). With N-phenylpyrrole and -indole, the reactions were carried out in hexane containing TMEDA which regioselectively afforded the 2-iodo derivatives after subsequent iodolysis. With pyrroles and indoles bearing N-substituents such as 2-thienyl, 3-pyridyl, 4-methoxyphenyl and 4-bromophenyl, the reactions all took place on the substituent, at the position either adjacent to the heteroatom (S, N) or ortho to the heteroatom-containing substituent (OMe, Br). The CH acidities of the substrates were determined in THF solution using the DFT B3LYP method in order to rationalize the experimental results.
    Beilstein Journal of Organic Chemistry 08/2015; DOI:10.3762/bjoc.11.160 · 2.76 Impact Factor
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    ABSTRACT: Chromium(iii) complexes [CrCl2(L)(THF)] based on monoanionic tridentate ligands [, L = {2-(C4H3N-2'-CH[double bond, length as m-dash]N)C2H4NHPh}; , L = {5-tert-butyl-2-(C4H2N-2'-CH[double bond, length as m-dash]N)C2H3NHPh}; , L = {2-(C4H3N-2'-CH[double bond, length as m-dash]N)C2H4OPh}] have been prepared. Complexes and were converted into the monomeric acetonitrile adducts [CrCl2(L)(NCMe)] [, L = {2-(C4H3N-2'-CH[double bond, length as m-dash]N)C2H4NHPh}; , L = {5-tert-butyl-2-(C4H2N-2'-CH[double bond, length as m-dash]N)C2H3NHPh}] by reaction with acetonitrile at room temperature. All Cr complexes were characterized by IR spectroscopy, elemental analysis, magnetochemistry for , and by X-ray crystallography for and . Upon activation with methylaluminoxane (MAO), chromium precatalysts and showed good activity in ethylene oligomerization (TOF = 47.0-57.0 × 10(3) (mol ethylene)(mol Cr)(-1) h(-1) at 80 °C), producing mostly oligomers (93.0-95.6 wt% of total products). On the other hand, under identical oligomerization conditions, /MAO behaved as a polymerization catalyst generating predominantly polyethylene (73.0 wt%). However, the catalytic behavior of the precatalyst can be adjusted by varying the MAO-to-Cr ratio. Thus, the use of 500 equiv. causes a dramatic shift from polymerization to ethylene oligomerization, eventually producing mainly lighter α-olefin fractions [α-C4 (68.7 wt%) and α-C6 (19.2 wt%)]. A further increase in the amount of MAO (1000 equiv.) leads to a more balanced distribution of oligomers, with a drastic decrease in the α-C4 and increase in the α-C8 fractions.
    Dalton Transactions 08/2015; 44(36). DOI:10.1039/c5dt02025e · 4.20 Impact Factor
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    ABSTRACT: In the presence of MeI or EtI, N-tert-butyl-1,3-thiazoline-2-thione derivatives undergo a transformation to 2-alkylthio-thiazoledithiolate pro-ligands with elimination of the tert-butyl substituent. The corresponding Au(III) dithiolene complexes [Au(RS-tzdt)2](-) (R = Me, Et) oxidize readily to the neutral radical species, such as the semi-conducting [Au(EtS-tzdt)2]˙, which organizes into dimers in the solid state.
    Dalton Transactions 08/2015; 44(35). DOI:10.1039/c5dt02534f · 4.20 Impact Factor
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    ABSTRACT: 1-Aryl- and 2-aryl-1,2,3-triazoles were synthesized by N-arylation of the corresponding azoles using aryl iodides. The deprotometalations of 1-phenyl-1,2,3-triazole and -1,2,4-triazole were performed using a 2,2,6,6-tetramethylpiperidino-based mixed lithium-zinc combination and occurred at the most acidic site, affording by iodolysis the 5-substituted derivatives. Dideprotonation was noted from 1-(2-thienyl)-1,2,4-triazole by increasing the amount of base. From 2-phenyl-1,2,3-triazoles, and in particular from 2-(4-trifluoromethoxy)phenyl-1,2,3-triazole, reactions at the 4 position of the triazolyl, but also ortho to the triazolyl on the phenyl group, were observed. The results were analyzed with the help of the CH acidities of the substrates, determined in THF solution using the DFT B3LYP method. 4-Iodo-2-phenyl-1,2,3-triazole and 4-iodo-2-(2-iodophenyl)-1,2,3-triazole were next involved in Suzuki coupling reactions to furnish the corresponding 4-arylated and 4,2'-diarylated derivatives. When evaluated for biological activities, the latter (which are resveratrol analogues) showed moderate antibacterial activity and promising antiproliferative effect against MDA-MB-231 cell line.
    Bioorganic & medicinal chemistry 08/2015; DOI:10.1016/j.bmc.2015.08.031 · 2.79 Impact Factor
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    ABSTRACT: Reaction of [(η(5)-C5Me5)CoCl]2 with a two-fold excess of [LiBH4·thf] followed by heating with an excess of Se powder produces the dicobaltaselenaborane species [{(η(5)-C5Me5)Co}2B2H2Se2], , in good yield. The geometry of resembles a nido pentagonal [Co2B2Se2] bipyramid with a missing equatorial vertex. It can alternatively be seen as an open cage triple-decker cluster. Isolation of permits its reaction with [Fe2(CO)9] to give heterometallic diselenametallaborane [{(η(5)-C5Me5)Co}Fe(CO)3B2H2Se2], . The geometry of is similar to that of with one of the [(η(5)-C5Me5)Co] groups replaced by the isolobal, two-electron fragment [Fe(CO)3]. Both new compounds have been characterized by mass spectrometry, and by (1)H, (11)B and (13)C NMR spectroscopy. The structural architectures have been unequivocally established by crystallographic analysis. In addition, density functional theory calculations were performed to investigate the bonding and electronic properties. The large HOMO-LUMO gaps computed for both clusters are consistent with their thermodynamic stability. Natural bond order calculations predict the absence of metal-metal bonding interaction.
    Dalton Transactions 07/2015; 44(32). DOI:10.1039/c5dt01511a · 4.20 Impact Factor
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    ABSTRACT: Abstract
    Comptes Rendus Chimie 07/2015; 18(8):808-815. DOI:10.1016/j.crci.2015.06.003 · 1.71 Impact Factor
  • Y Le Gal · D Ameline · N Bellec · A Vacher · T Roisnel · V Dorcet · O Jeannin · D Lorcy
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    ABSTRACT: Different approaches have been studied in order to prepare efficiently the sulfur rich electron acceptor, DEBTTT. Among the various routes used, the one going through the synthesis of a bicyclic derivative, where the thiazole-2-chalcogenone is fused with a 1,3-dithiole-2-one, leads to the target molecule under milder conditions and better yield. Thus, this approach has been explored for the synthesis of a series of acceptors either by modifying the substituent on the thiazole core or by changing the exocyclic chalcogen atoms. All these sulfur rich electron acceptors exhibit short intra- and intermolecular SS contacts in the solid state. Electrochemical investigations show that the nature of the exocyclic chalcogen atom of the thiazole ring has a significant influence on the accepting ability as a cathodic shift of about 220 mV is observed just by changing sulfur for oxygen. This structural modification enables the tuning of the redox properties.
    Organic & Biomolecular Chemistry 07/2015; 13(31). DOI:10.1039/c5ob01169h · 3.56 Impact Factor
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    Procedia - Social and Behavioral Sciences 07/2015; 195. DOI:10.1016/j.sbspro.2015.06.229
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    ABSTRACT: Amino-ynones can be seen as precursors of various heterocyclic rings. Although γ-amino-ynones have been used to prepare exocyclic vinylogous amides in the presence of Brønsted acids, we describe here the use of zinc chloride as a weak Lewis acid for their conversion into acetylenic cyclic imines. This reaction, which was attempted for a diverse range of γ-amino-ynones, proved to be robust and efficient in most cases and was easily extended to δ-amino-ynones to yield various acetylenic cyclic imines. Depending on the workup procedure, the latter compounds could be isolated either as free organic compounds or as zinc complexes. The ability of these cyclic imines to form complexes with palladium is also reported.
    European Journal of Organic Chemistry 06/2015; 2015(22). DOI:10.1002/ejoc.201500569 · 3.07 Impact Factor
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    Manel Essid · Thierry Roisnel · Mohamed Rzaigui · Houda Marouani
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    ABSTRACT: Abstract A novel organic-inorganic hybrid material, [C6H16N2]2(BiBr6)NO3, was synthesized, and its structure was determined by means of single crystal X-ray diffraction studies at room temperature in the non-centrosymmetric orthorhombic space group P21212 with the following parameters: a = 17.629(5) Å, b = 20.279(5) Å, c = 7.319(5) Å, and Z = 4. The crystal lattice is composed of discrete hexabromobismuthates and nitrate anions surrounded by trans-2,5-dimethylpiperazine-1,4-diium cations linked via simple and bifurcated N-H···Br(O) and weak C-H···Br(O) hydrogen bonds to form three-dimensional network. The vibrational spectrum has been measured at room temperature by FT-IR spectroscopy (4000-400 cm−1) on polycrystalline samples, shows the presence of organic cation and nitrate anion. The number of 13C CP-MAS NMR lines is in full agreement with the crystallographic data. Graphical abstract
    Monatshefte fuer Chemie/Chemical Monthly 05/2015; DOI:10.1007/s00706-015-1485-9 · 1.22 Impact Factor
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    ABSTRACT: Ammonium bifluoride was efficiently used (at a 0.5 mol % loading) to catalyze the cyclocondensation between 1,2-arylenediamines and 1,2-dicarbonyl compounds at room temperature in methanol-water, affording quinoxalines and pyrido[2,3-b]pyrazines in excellent yields. Importantly, 2,8-disubstituted quinoxalines and 3-substituted pyrido[2,3-b]pyrazines were regioselectively formed by reacting aryl glyoxals with 3-methyl-1,2-phenylenediamine and 2,3-diaminopyridine, respectively. Analysis of the DFT reactivity indices allowed to explain the catalytic role of ammonium bifluoride.
    Synthesis 05/2015; DOI:10.1055/s-0034-1380678 · 2.69 Impact Factor
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    ABSTRACT: The title mol-ecular salt, C5H10N3 (+)·Cl(-), was obtained as by-product in the attempted synthesis of a histamine derivative. The terminal amino group of the starting material is protonated. The Cimidazole-C-C-N(H3)(+) group in the cation is in an anti conformation with a torsion angle of 176.22 (10)°. In the crystal, cations and anions are linked via N-H⋯N and N-H-Cl hydrogen bonds, forming a two-dimensional network parallel to (10-1). A single weak C-H⋯Cl hydrogen bond completes a three-dimensional network.
    05/2015; 71(5):o301-o302. DOI:10.1107/S2056989015006866
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    ABSTRACT: Single crystals of Ni18Ge12 are grown by chemical transport from a mixture of the elements (quartz tube, 1073 K).
    ChemInform 05/2015; 46(20). DOI:10.1002/chin.201520013
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    ABSTRACT: Tetrathiafulvalenes (TTF) and bis(cyclopentadienyl) molybdenum dithiolene complexes, Cp2Mo(dithiolene) complexes, are known separately to act as good electron donor molecules. For an investigation of the interaction between both electrophores, two types of complexes were synthesized and characterized. The first type has one Cp2Mo fragment coordinated to one TTF dithiolate ligand, and the second type has one TTF bis(dithiolate) bridging two Cp2Mo fragments. Comparisons of the electrochemical properties of these complexes with those of models of each separate electrophore provide evidence for their mutual influence. All of these complexes act as very good electron donors with a first oxidation potential 430 mV lower than the tetrakis(methylthio)TTF. DFT calculations suggest that the HOMO of the neutral complex and the SOMO of the cation are delocalized across the whole TTF dithiolate ligand. The X-ray crystal structure analyses of the neutral and the mono-oxidized Cp2Mo(dithiolene)(bismethylthio)TTF complexes are consistent with the delocalized assignment of the highest occupied frontier molecular orbitals. UV-vis-NIR spectroelectrochemical investigations confirm this electronic delocalization within the TTF dithiolate ligand.
    Inorganic Chemistry 04/2015; 54(10). DOI:10.1021/acs.inorgchem.5b00632 · 4.76 Impact Factor
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    ABSTRACT: We describe in this work several polyionic hybrid molecular compounds combining by electrostatic interactions. Liquid crystalline ammonium cations and tailor molybdenum hexanuclear dianionic cluster units. All hybrids show nematic liquid crystalline behaviour below 100°C, no matter the nature of the metallic cluster apical and inner ligands. They also retain the shiny deep red photoluminescence properties of their parent cluster in the nematic phase.This nematic phase remains however quite viscous for all compounds and mixing them into electroswitchable devices. This particularity conducted us to insert the best candidate in terms of homogeneity and stability of the clustomesogen / commercial LC mixture into a LC cell and study the behaviour toward the application of an electric stimulus. We show that the application of 30V AC voltage allows observing a reversible modulation of the photoluminescence signal by about 52%. This work presents the first deep red photoluminescent transition metal cluster containing device directed towards optoelectronic applications.
    Journal of Materials Chemistry C 04/2015; 3(20):5111-5356. · 4.70 Impact Factor
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    ABSTRACT: We describe in this work several poly ionic hybrid molecular compounds combining, by electrostatic interactions, liquid crystalline ammonium cations and tailor made molybdenum hexanuclear dianionic cluster units. All hybrids show nematic liquid crystalline behaviour below 100°C, no matter the nature of the metallic cluster apical and inner ligands. They also keep the shiny deep red photoluminescence properties of their parent cluster in the nematic phase. This nematic phase remains however quite viscous for all compounds and mixing them with commercially available nematic LC seems mandatory to integrate them in electroswitchable devices. This particularity, conducted us to insert the best candidate in terms of homogeneity and stability of the clustomesogen/commercial LC mixture in a LC cell and study the behaviour toward application of an electric stimulus. We show that application of a 30V AC voltage allows observing a reversible modulation of the photoluminescence signal by about 52%. This work presents the first deep red photoluminescent transition metal clusters containing device directed towards optoelectronic applications.
    04/2015; 3(20). DOI:10.1039/C5TC00632E
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    ABSTRACT: Single crystals of octadecanickel dodecagermanide were grown by chemical transport reaction. The intermetallic compound crystallizes in a superstructure of the hexagonal NiAs type (B8 type). All atoms in the asymmetric unit lie on special positions except one Ni atom (two Ni atoms have site symmetry -6.. and another one has site symmetry .2. while the Ge atoms have site symmetries 32., m .. and 3..). In the structure, the Ni atoms are arranged in 11- or 13-vertex polyhedra (CN = 11–13). The coordination polyhedra of the Ge atoms are bicapped square antiprisms (CN = 10) or 11-vertex polyhedra (CN = 11). The structure exhibits strong Ge...Ni interactions, but no close Ge...Ge contacts are observed. The Ni atoms with CN = 13 form infinite chains along [001] with an Ni—Ni distance of 2.491 (2) Å.
    03/2015; 71(Pt 3):318-20. DOI:10.1107/S2056989015003680

Publication Stats

5k Citations
1,452.66 Total Impact Points


  • 2009–2015
    • University of Science and Technology Houari Boumediene
      • Faculty of Chemistry
      Le Retour de la Chasse, Alger, Algeria
  • 2003–2015
    • Université de Rennes 1
      • • UMR CNRS 6118 - Géosciences Rennes
      • • Institut des Sciences Chimiques de Rennes (ISCR) - UMR CNRS 6226
      Roazhon, Brittany, France
  • 1990–2015
    • French National Centre for Scientific Research
      • • Institut de Chimie (INC)
      • • Institut Néel
      Lutetia Parisorum, Île-de-France, France
  • 2013–2014
    • University of Constantine 3
      Cirta, Constantine, Algeria
  • 2002–2013
    • Université de Rennes 2
      Roazhon, Brittany, France
  • 2011
    • Jiangnan University
      • School of Chemical and Material Engineering
      Wu-hsi, Jiangsu Sheng, China
  • 2007
    • Ecole Nationale Supérieure de Chimie de Rennes
      Roazhon, Brittany, France
  • 2000
    • Hungarian Academy of Sciences
      Budapeŝto, Budapest, Hungary