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- Biogéochimie moléculaire
- [BCB] Biométaux et Chimie Biologique
- [CLIC] Coordination, Ligands, Interactions et Catalyse
- [CBMB] Chimie et Biochimie de Molécules Bioactives
- [LCQS] Chimie Quantique de Strasbourg
- [LECPCS] Electrochimie et Chimie Physique du Corps Solide
- [COSyS] Catalyse Organométallique, Synthèse organique et Santé
- [SOPhy] Synthèse Organique & Phytochimie
- [LSAMM] Synthèse des Assemblages Moléculaires Multifonctionnels
- [LCSOM] Chimie et Systémique Organo-Métalliques
- [CBAT] Chimie Biologique et Applications Thérapeutiques
- [ECMC] Confinement Moléculaire et Catalyse
- [POMAM] Propriétés Optiques et Magnétiques des Architectures Moléculaires
- Biophysique des membranes et RMN
- [IFM] Laboratoire d’Ingénierie des Fonctions Moléculaires
- [SRCO] Synthèse, Réactivité et Catalyse Organométalliques
- [OMECA] Objets, MEtaux et CAtalyse
- [SOCAT] Synthèse Organométallique et CATalyse
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Recent publications
Chem. Eur. J. [LASYROC]
Abstract: Diaryl ditelluride derivatives bearing different functional groups were prepared with the aim to study their ability to interact through chalcogen bonding (ChB). Rectangular Te4 and triangular Te3 motifs were observed in the solid-state as a result of intermolecular Te⋅⋅⋅Te ChB. In solution, the use of the very sensitive 125Te, 17O NMR analyses as well as 19F−1H HOESY allowed...[more]
The Journal of Organic Chemistry [SOPHY]
Abstract: N-Allenamides, substituted by an ester at the γ-position, were obtained through addition of terminal ynamides with ethyl diazoacetate under copper catalysis for the first time. Regio- and stereoselective hydroamination of those activated N-allenamides provided exclusively E-configured captodative enamimes through a one-pot anti-Michael addition. Numerous ynamides as well as various...[more]
Computation [LCQ]
Abstract: Quantum embedding is a divide and conquer strategy that aims at solving the electronic Schrödinger equation of sizeable molecules or extended systems. We establish in the present work a clearer and in-principle-exact connection between density matrix embedding theory (DMET) and density-functional theory (DFT) within the simple but nontrivial one-dimensional Hubbard model. For that...[more]
Contact Dermatitis [DERMATOCHIMIE - POMAM]
Abstract: A major research topic consists of revealing the contribution of radical-mediated reactions in dermatological diseases related to xenobiotic-induced stress to succeed risk-assessment procedures protecting producers and consumers. Allergic contact dermatitis is the clinically relevant consequence of skin sensitization, one of the most critical occupational and environmental health...[more]
Chem. Eur. J.
Abstract: A combined experimental/theoretical study of Ni pincer complexes with a bridgehead pyrimidine-based NHC and arylphosphino side arms revealed unique features about stepwise C−H activation, ethylene insertion into the Ni−H bond of an isolated complex followed by ethyl migration with C−CNHCcoupling, and an unprecedented C−P bond activation affording through PPh2 migration a NiII complex...[more]
Chem. Eur J. [CLAC]
Summary: Chiral gold(I) acetylide trinuclear complexes 1 - 3 based on the cyclotribenzylene platform and terminal PR3 ligands (R = Ph, Et, and Cy, respectively), were characterized and their light emission studied. They exhibited long-lived blue phosphorescence in CHCl3 and a weak fluorescence in the UV. In MeOH/CHCl3 mixtures of > 1:1 volume ratio, 1 and 2 exhibited a new emission band at ca...[more]
Physical Review E [LCSOM]
Abstract: The theory developed in an accompanying paper [Déjardin, Phys. Rev. E105, 024109 (2022)] is used to compute the Kirkwood correlation factor of simple polar fluids of different nature. From this calculation, the theoretical static permittivity is readily obtained, which is compared with experimental values. This is accomplished by fitting only one parameter accounting for induction or...[more]