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Recent publications

Mar 6 2019

Chemical Science [CLAC]

Abstract : We present the synthesis of novel rotaxanes based on mechanically interlocked porphyrins and fullerene and their advanced investigations by means of photophysical measurements. To this end, a fullerene-capped dumbbell-type axle containing a central triazole was threaded through strapped (metallo)porphyrins—either a free-base or a zinc porphyrin. Femtosecond-resolved transient...[more]

Mar 6 2019

The Journal of Chemical Physics [LCQ]

Abstract : Gross–Oliveira–Kohn density-functional theory (GOK-DFT) for ensembles is the DFT analog of state-averaged wavefunction-based (SA-WF) methods. In GOK-DFT, the SA (so-called ensemble) exchange-correlation (xc) energy is described by a single functional of the density which, for a fixed density, depends on the weights assigned to each state in the ensemble. We show that if a...[more]

Mar 5 2019

New Book Chapter [LCSOM]

        From the Book:    Noncovalent Interactions in Catalysis    All Chapters   CHAPTER 27 Noncovalent Interactions in Key Metal-centred Catalytic Intermediates: Structure–Electronic Relationship Mustapha Hamdaoui and Jean-Pierre Djukic This chapter covers the most recent advances in investigations of the most critical intermediates in transition metal-promoted processes with a...[more]

Mar 1 2019

Organic Letters [SOPhy]

Abstract : Two unprecedented domino reactions are described, starting from ketospiro-enesulfonamides. By treatment with ZrCl4 and allylsilane, an intramolecular electrophilic aromatic substitution and subsequent allylation is observed. By treatment with TiCl4 and allylsilane, a double enamine-type reaction takes place, thus creating simultaneously four contiguous stereogenic centers...[more]

Mar 1 2019

HETEROCYCLES [SOPhy]

Abstract : Natural, non-natural and ent-14β-hydroxyandrostane derivatives closely related to the cardenolide and bufadienolide skeletons were readily available through highly diastereo-/enantioselective Diels–Alder reactions calling for high pressure or Lewis acid activation. Moreover, in the presence of (R)- or (S)-carvone as chiral dienophile, the Diels–Alder reaction took place under...[more]

Jan 24 2019

Organic Letters [CLAC, POMAM, LEPCS, LCQ]

Abstract : Functionalization of a methylviologen with four methyl ester substituents significantly facilitates the first two reduction steps. The easily generated radical cation shows markedly improved air stability compared to the parent methylviologen, making this derivative of interest in organic electronic applications. Graphical Abstract : Reference : Mathilde Berville, Jimmy Richard,...[more]

Jan 10 2019

Chemistry : A European Journal [LSAMM]

Abstract : The allosteric control of the receptor properties of two flexible covalent cages is reported. These receptors consist of two zinc(II) porphyrins connected by four linkers of two different sizes, each incorporating two 1,2,3-triazolyl ligands. Silver(I) ions act as effectors, responsible for an on/off encapsulation mechanism of neutral guest molecules. Binding silver(I) ions to the...[more]