42 research outputs found
Diversity and Strain Specificity of Plant Cell Wall Degrading Enzymes Revealed by the Draft Genome of Ruminococcus flavefaciens FD-1
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A Diiron Center Stabilized by a Bis-TPA Ligand as a Model of Soluble Methane Monooxygenase: Predominant Alkene Epoxidation with H2O2
No full textSynthesis, structure and catecholase-like activity of a new dicopper(II) complex with benzoylacetonate ligand.
No full textSynthesis, structure and catalase-like activity of new dicopper(II) complexes with phenylglyoxylate and benzoate ligands.
No full textSynthesis, structure and catalase mimics of novel homoleptic manganese(II) complexes of 1,3-bis(2âČ-pyridylimino)isoindoline, Mn(4R-ind)2 (R=H, Me)
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Copper-catalyzed oxygenation of 3-hydroxy-2-phenylquinolin-4(1H)-one: Synthesis, structure and spectral properties of [Cu(idpa)(N-baa)]ClO4, [idpa=3,3'-iminobis(N,N-dimethylpropylamine), N-baaH = N-benzoylanthranilic acid]
No full textSynthesis, structure and spectral properties of a novel stable homoleptic iron(II) complex of 1,3-bis(2'-pyridylimino)isoindoline, Fe(ind)2.
No full textComputational Insights of Selective Intramolecular Oâatom Transfer Mediated by Bioinspired Copper Complexes
No full textInternational audienceThe stereoselective copper-mediated hydroxylation of intramolecular C H bonds from tridentate ligands is reinvestigated using DFT calculations. The computational study aims at deciphering the mechanism of C H hydroxylation obtained after reaction of Cu(I) precursors with dioxygen, using ligands bearing either activated (L 1) or nonactivated (L 2) C H bonds. Configurational analysis allows rationalization of the experimentally observed regio-and stereoselectivity. The computed mechanism involves the formation of a side-on peroxide species (P) in equilibrium with the key intermediate bis-(Ό-oxo) isomer (O) responsible for the C H activation step. The P/O equilibrium yields the same activation barrier for the two complexes. However, the main difference between the two model complexes is observed during the C H activation step, where the complex bearing the non-activated C H bonds yields a higher energy barrier, accounting for the experimental lack of reactivity of this complex under those conditions
An Air-Stable Molybdenum-Based Precatalyst in Oxygen-Atom Transfer Reactions
No full textInternational audienceWe report on the preparation and characterization of two new airâstable mononuclear molybdenum(VI) complexes, termed MoVIO2(OPNO)2 (1) and MoVIO2(SPNO)2 (2). The potential of these complexes to act as functional mimics of molybdoenzymes from the DMSO reductase family was investigated. Initial catalytic studies suggest that 2 (but not 1) catalyzes the reduction of a sulfoxide into the thioether derivative. Studying the catalytic intermediates by UV/Vis spectroscopy, NMR spectroscopy, and DFT indicates that the active species (SPNO)2OMoVâOâMoVO(SPNO)2 (4), a dinuclear molybdenum(V) dimer with one ”âoxo bridge, is formed upon successive reduction of the (SPNO)â ligands and the molybdenum(VI) ion
