Search Results - "Rohmer, Marie Madeleine"

Two Linear Undecanickel Mixed-Valence Complexes: Increasing the Size and the Scope of the Electronic Properties of Nickel Metal Strings by Ismayilov, Rayyat H, Wang, Wen-Zhen, Lee, Gene-Hsiang, Yeh, Chen-Yu, Hua, Shao-An, Song, You, Rohmer, Marie-Madeleine, Bénard, Marc, Peng, Shie-Ming

“…Nickel′s eleven: A metal chain consisting of four dinuclear mixed‐valent Ni23+ units linked together by three square‐planar Ni2+ units has been prepared (see…”
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Diiron Azadithiolates as Models for the Iron-Only Hydrogenase Active Site: Synthesis, Structure, and Stereoelectronics by Lawrence, Joshua D., Li, Hongxiang, Rauchfuss, Thomas B., Bénard, Marc, Rohmer, Marie-Madeleine

“…Most hydrogenase enzymes have organometallic active sites with CO and CN− as ligands and metal–metal bonds. Recent evidence points to a novel…”
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Bimetallic Carbonyl Thiolates as Functional Models for Fe-Only Hydrogenases by Gloaguen, Frédéric, Lawrence, Joshua D, Rauchfuss, Thomas B, Bénard, Marc, Rohmer, Marie-Madeleine

“…The anion [Fe2(S2C3H6)(CN)(CO)4(PMe3)]- (2 -) is protonated by sulfuric or toluenesulfonic acid to give HFe2(S2C3H6)(CN)(CO)4(PMe3) (2H), the structure of…”
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Structural, Magnetic, and Theoretical Characterization of a Heterometallic Polypyridylamide Complex by Rohmer, Marie-Madeleine, Liu, Isiah Po-Chun, Lin, Jheng-Cheng, Chiu, Mei-Jyun, Lee, Chia-Hwa, Lee, Gene-Hsiang, Bénard, Marc, López, Xavier, Peng, Shie-Ming

“…A heterometallic backbone has been obtained for the first time in a trinuclear complex of bis(2‐pyridyl)amide (dpa), namely, [Co2PdCl2(dpa)4] (1). The crystal…”
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An Oriented 1D Coordination/Organometallic Dimetallic Molecular Wire with AgPd Metal-Metal Bonds by Braunstein, Pierre, Frison, Céline, Oberbeckmann-Winter, Nicola, Morise, Xavier, Messaoudi, Abdelatif, Bénard, Marc, Rohmer, Marie-Madeleine, Welter, Richard

“…A subtle electronic balance between covalent and dative interactions involving coordinated phosphanyl iminolate ligands results in the formation of an…”
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Experimental and Computational Study of the Framework Fluxionality of Organometallic Derivatives of Polyoxometalates: Analysis of the Effect of the Metal and of the Solvent by Laurencin, Danielle, Thouvenot, René, Boubekeur, Kamal, Villain, Françoise, Villanneau, Richard, Rohmer, Marie-Madeleine, Bénard, Marc, Proust, Anna

“…Organometallic oxides of the general formula [Mo4O16{Ru(arene)}4] display two isomeric forms, referred to as the “triple-cubane” and “windmill” structures. In…”
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Tale of Two Isomers (Continued): Is the Phenyl Hydride Complex of Chromium More Stable than Its Benzene-Bridged Isomer by Bénard, Marc, Rohmer, Marie-Madeleine, López, Xavier, Theopold, Klaus H

“…Weighing in: DFT calculations suggest that the recently characterized phenyl hydride bridged complex of chromium (see picture, left; Cr red, N blue, C dark…”
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Even-Numbered Metal Chain Complexes:  Synthesis, Characterization, and DFT Analysis of [Ni4(μ4-Tsdpda)4(H2O)2] (Tsdpda2- = N-(p-toluenesulfonyl)dipyridyldiamido), [Ni4(μ4-Tsdpda)4]+, and Related Ni4 String Complexes by López, Xavier, Huang, Ming-Yi, Huang, Gin-Chen, Peng, Shie-Ming, Li, Feng-Yin, Bénard, Marc, Rohmer, Marie-Madeleine

“…The synthesis and the X-ray structure of two complexes exhibiting a linear chain of four nickel atoms is reported, following Ni4(μ4-phdpda)4 (1), which had…”
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Tunable Charge Delocalization in Dinickel Quinonoid Complexes by Siri, Olivier, Taquet, Jean-philippe, Collin, Jean-Paul, Rohmer, Marie-Madeleine, Bénard, Marc, Braunstein, Pierre

“…When a 2,5‐diamino‐1,4‐benzoquinonediimine C6H2(NR)2(NHR)2 (2) is used as a bridging ligand, new dinickel(II) complexes…”
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Influence of Electron-Attractor Substituents on the Magnetic Properties of Ni(II) String Complexes by López, Xavier, Bénard, Marc, Rohmer, Marie-Madeleine

“…Density functional theory calculations carried out on the anionic Ni(II) chain complexes {trinickeltetrakis[2,6-bis(amido)pyridine]}2- and…”
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Host-guest adaptability within oxothiomolybdenum wheels: structures, studies in solution and DFT calculations by Lemonnier, Jean-François, Floquet, Sébastien, Kachmar, Ali, Rohmer, Marie-Madeleine, Bénard, Marc, Marrot, Jerôme, Terazzi, Emmanuel, Piguet, Claude, Cadot, Emmanuel

“…The formation of host-guest cyclic architectures, built up through the self-condensation process of [Mo(2)O(2)S(2)](2+) oxothiocations around linear…”
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A DFT based ligand field study of the EPR spectra of Co(II) and Cu(II) porphyrins by Atanasov, Mihail, Daul, Claude A., Rohmer, Marie-Madeleine, Venkatachalam, Tamilmani

“…Using a DFT based Ligand Field treatment (LFDFT) of the electronic structure of Co(II) and Cu(II) porphyrins (CoP and CuP) we analyse the origin of their EPR…”
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DFT Modeling of Sandwich Complexes Involving Cationic Palladium Chains and Polyenic or Polycyclic Aromatic Hydrocarbons by Labéguerie, Pierre, Bénard, Marc, Rohmer, Marie-Madeleine

“…DFT calculations are reported on a series of one-dimensional palladium complexes with general formula [Pd m (C2 n H2 n +2)2]2+ (m = 2−4, n = 2−8, n ≥ m), in…”
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Dynamic Properties of a Hexadecamolybdenum Wheel: Studies in Solution and Density Functional Theory Calculations by Kachmar, Ali, Floquet, Sébastien, Lemonnier, Jean-François, Cadot, Emmanuel, Rohmer, Marie-Madeleine, Bénard, Marc

“…Variable temperature 1H NMR studies of the host−guest complex [Mo16O16S16(OH)16(H2O)4(PDA)2]4− (1 ; PDA2− = phenylenediacetate) previously carried out in D2O…”
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Framework Fluxionality of Organometallic Oxides: Synthesis, Crystal Structure, EXAFS, and DFT Studies on [{Ru(η6-arene)}4Mo4O16] Complexes by Laurencin, Danielle, Garcia Fidalgo, Eva, Villanneau, Richard, Villain, Françoise, Herson, Patrick, Pacifico, Jessica, Stoeckli-Evans, Helen, Bénard, Marc, Rohmer, Marie-Madeleine, Süss-Fink, Georg, Proust, Anna

“…Reactions of the molybdates Na2MoO4⋅2 H2O and (nBu4N)2[Mo2O7] with [{Ru(arene)Cl2}2] (arene=C6H5CH3, 1,3,5‐C6H3(CH3)3, 1,2,4,5‐C6H2(CH3)4) in water or organic…”
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Two-Dimensional Triangular and Square Heterometallic Clusters: Influence of the Closed-Shell d10 Electronic Configuration by Sculfort, Sabrina, Croizat, Pierre, Messaoudi, Abdelatif, Bénard, Marc, Rohmer, Marie-Madeleine, Welter, Richard, Braunstein, Pierre

“…Gilded rafts: Oligomeric 2D raft clusters {M[m]}n (M=Cu, n=3; M=Ag or Au, n=4; see picture) with the same bridging metalloligand [m]={CpMo(CO)3} were prepared…”
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A New Generation of Metal String Complexes: Structure, Magnetism, Spectroscopy, Theoretical Analysis, and Single Molecular Conductance of an Unusual Mixed-Valence Linear [Ni5]8+ Complex by Liu, Isiah Po-Chun, Bénard, Marc, Hasanov, Hasan, Chen, I-Wen Peter, Tseng, Wei-Hsiang, Fu, Ming-Dung, Rohmer, Marie-Madeleine, Chen, Chun-hsien, Lee, Gene-Hsiang, Peng, Shie-Ming

“…Two new linear pentanickel complexes [Ni5(bna)4(Cl)2][PF6]2 (1) and [Ni5(bna)4(Cl)2][PF6]4 (2; bna=binaphthyridylamide), were synthesized and structurally…”
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Ab Initio Modeling of the Endohedral Reactivity of Polyoxometallates:  1. Host−Guest Interactions in [RCN⊂(V12O32)4-] (R = H, CH3, C6H5) by Rohmer, Marie-Madeleine, Devémy, Jérôme, Wiest, Roland, Bénard, Marc

“…The origin of the host−guest interaction energy between R−CN molecules (R = CH3, C6H5) and the basket-like cavitand (V12O32)4- has been investigated by means…”
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Structure, Reactivity, and Growth Pathways of Metallocarbohedrenes M8C12 and Transition Metal/Carbon Clusters and Nanocrystals:  A Challenge to Computational Chemistry by Rohmer, Marie-Madeleine, Bénard, Marc, Poblet, Josep-M.

“…Rohmer and Benard discuss the structure, reactivity and growth pathways of metallocarbohedrenes M8C12 and transition metal/carbon clusters and nanocrystals…”
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Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels:  Role of the Inorganic Template and of the Counterion by Dolbecq, Anne, Lisnard, Laurent, Mialane, Pierre, Marrot, Jérôme, Bénard, Marc, Rohmer, Marie-Madeleine, Sécheresse, Francis

“…Eight new compounds based on [O3PCH2PO3]4- ligands and {MoV 2O4} dimeric units have been synthesized and structurally characterized. Octanuclear wheels…”
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