Abstract: A copper-mediated coupling reaction between ynamides and diazo-compounds to produce N -allenamides is reported for the first time. This method enables facile and rapid access to terminal N -allenamides by using commercially available TMS-diazomethane with wide functional group compatibility on the nitrogen. Furthermore, the ubiquity of molecules containing a fluorine moiety in...[more]
Tweet: IFM proposes PrepFlow, a new toolkit for chemical library preparation and management. This open-access software is expected to boost the exploitation of big data in Chemistry for structure-based drug discovery. Abstract: In the era of big data in Chemistry, the need for automated tools for virtual screening is compelling. Here, we present PrepFlow a toolkit for chemical library...[more]
Abstract: Recent progress in the field of (time-independent) ensemble density-functional theory (DFT) for excited states are reviewed. Both Gross–Oliveira–Kohn (GOK) and N-centered ensemble formalisms, which are mathematically very similar and allow for an in-principle-exact description of neutral and charged electronic excitations, respectively, are discussed. Key exact results, for example,...[more]
Summary: We report the design of a unique bioinspired ligand merging redox-active catechol and flavin-related alloxazine substructures. Upon coordination with a Ni(II) salt, this hybrid ligand forms a trinuclear complex containing three NiII centers and three redox-active ligands. This air-stable metallic triangle stabilizing protons and electrons was studied by X-ray crystallography, infra-red...[more]
Vous trouverez à l’adresse ci-dessous un numéro spécial des Comptes Rendus Chimie consacré au GDR MAPYRO avec plusieurs articles en accès libre des équipes LECPCS, LSAMM, CLAC (Institut de Chimie de Strasbourg, UMR 7177). You will find at the address below a special issue of the “Comptes Rendus Chimie” dedicated to the GDR MAPYRO with several free access articles from the LECPCS, LSAMM, CLAC...[more]
Abstract: Winning combo: Porphyrins and polyoxometalates can be combined into useful architectures for energy conversion, this minireview highlights the most successful strategies developed to date. Abstract: Polyoxometalates (POMs) can act as unique reservoirs for multiple electron transfers. As POMs display only weak absorption in the visible spectrum, they can be associated with...[more]
Abstract : In an effort to determine the thermochemistry of established organometallic transformation, the well documented reaction of alkynes with a palladacycle was investigated by isothermal titration calorimetry (ITC). Although the mechanism of the insertion of unsaturated substrates into the Pd-C bond of cyclopalladated compounds is known, so far no information is known about their...[more]