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Publications récentes

oct. 17 2023

Chem. Eur. J. [LASYROC

Abstract Chalcogen bonding(ChB)is thenon-covalent interaction occurring between chalcogen atoms as Lewis acid sites and atoms or groups of atoms able to behave as Lewis bases through their lone pair or pelectrons.Analogously to its sister halogen bonding, the high directionality of this interaction was implemented for the precise structural organization in the solid state and in solution....[En savoir plus]

oct. 17 2023

ChemPhysChem [LASYROC]

Abstract Chalcogen bonds (ChBs) occur between molecules containing Lewis acidic chalcogen substituents and Lewis bases. Recently, ChB emerged as a pivotal interaction in solution-based applications such as anion recognition, anion transport and catalysis. However, before moving to applications, the involvement of ChB must be established in solution. In this Concept article, we provide a brief...[En savoir plus]

oct. 10 2023

Organometallics [SRCO / LCQ]

Abstract The present study details the synthesis and characterization of novel Zn(II)-based organocations of the type [IPr*-Zn-R]+ (IPr* = 1,3-bis[2,6-bis(diphenylmethyl)-4-methylphenyl]-1,3-dihydro-2H-imidazol-2-ylidene; R = alkyl, aryl) and their use in styrene, alkyne, and carbonyl hydrosilylation catalysis. The neutral IPr* adducts [IPr*-ZnR2] (1, R = Me; 2, R = Et; 3, R = Ph) were prepared...[En savoir plus]

oct. 9 2023

Magnetochemistry [POMAN]

Abstract The weak intramolecular magnetic interactions within a series of CuII3 complexes based on the trinucleating 2,4,6-tris(di-2-pyridylamino)-1,3,5-triazine (dipyatriz) ligand were investigated via Electron Paramagnetic Resonance (EPR) spectroscopy. X- and Q-band EPR spectroscopy in powders and frozen solutions were recorded and the Q-band spectra were interpreted by a multispin Hamiltonian...[En savoir plus]

sept. 22 2023

Dalton Transactions [BCB]

Abstract The chelator diacetyl-bis(N4-methylthiosemicarbazone) (ATSM) and its complexes with CuII and ZnII are becoming increasingly investigated for medical applications such as PET imaging for anti-tumour therapy and the treatment of amyotrophic lateral sclerosis. However, the solubility in water of both the ligand and the complexes presents certain limitations for in vitro studies. Moreover,...[En savoir plus]

sept. 18 2023

Science Advances [SOPhy]

Abstract Specialized metabolite (SM) diversification is a core process to plants’ adaptation to diverse ecological niches. Here, we implemented a computational mass spectrometry–based metabolomics approach to exploring SM diversification in tissues of 20 species covering Nicotiana phylogenetics sections. To markedly increase metabolite annotation, we created a large in silico fragmentation...[En savoir plus]

juil. 24 2023

The Journal of Chemical Physics [LCQ]

Abstract The equivalence in one-electron quantum baths between the practical implementation of density matrix embedding theory (DMET) and the more recent Householder-transformed density matrix functional embedding theory has been shown previously in the standard but special case where the reference full-size (one-electron reduced) density matrix, from which the bath is constructed, is idempotent...[En savoir plus]

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