Abstract Molecular triangles with competing Heisenberg interactions and significant Dzyaloshinskii–Moriya interactions (DMI) exhibit high environmental sensitivity, making them potential candidates for active elements for quantum sensing. Additionally, these triangles exhibit magnetoelectric…
Abstract The design of enantiomerically pure circularly polarized luminescent (CPL) emitters would enormously benefit from the accurate and in-depth interpretation of the chiroptical properties by means of jointly (chiroptical) photophysical measurements and state-of-the-art theoretical…
Graphical Abstract A metal-free porphyrin (TDPP) with a diphenylamino-Phenyl group is proposed as an electrode for aluminum-based batteries. The electrochemical performance is explored thoroughly. The extended porphyrin conjugated structure by the diphenylamino-phenyl groups shows a reversible…
Abstract We developed a chemoselective metal-free access for the 1,2- and 2,3-semireduction of CF3-N-allenamides. The enamide functionality of CF3-substituted N-allenamides could be efficiently reduced by Et3SiH/BF3·OEt2 in total regioselectivity and good stereoselectivity, whereas DBU promoted the…
Graphical Abstract Two for the price of one! Depending on the experimental conditions, two dramatically different diphosphanes can be obtained from diphenyl(2-phosphanylphenyl)phosphane and an α-cyclodextrin-derived dimesylate. The metal confining properties of the cavity-shaped ligands have been…
Abstract The direct CO2 conversion to liquid fuels by catalytic hydrogenation (CO2-based Fischer-Tropsch synthesis, FTS), is a sustainable approach to reduce CO2 emissions. This challenging reaction proceeds through tandem catalysis involving reverse water gas shift reaction to produce CO and…
Abstract Telluronium salts [Ar2MeTe]X were synthesized and their Lewis acidic properties towards a number of Lewis bases were addressed in solution by physical and theoretical means. The structural X-ray diffraction analysis of 21 different salts revealed the electrophilicity of the Te centers in…
Abstract Eugenol and isoeugenol are well acknowledged to possess antioxidant and thus cytoprotective activities. Yet both compounds are also important skin sensitizers, compelling the cosmetics and fragrance industries to notify their presence in manufactured products. While they are structurally…
Abstract We herein report the first use of thiosquaramides as polymerization catalysts, which are shown to be effective for the controlled ROP of lactide in the presence of an alcohol source and NEt3. Comparison of their catalytic performances with the less acidic squaramides are also discussed.…
Considering the article “One Fell Sweep: Modeling Exchange, Hyperfine and Dipolar Interactions from EPR Spectra of Copper(II) Spin Triangles” published by Athanassios K. Boudalis (POMAM team) in Magnetochemistry last month (Open Acces). The Institute of Chemistry of Strasbourg (UMR 7177), is…
Abstract Chiroptical materials are gaining increasing interest due to their innovative character and their applications in optoelectronics and data encryption technologies. Fully harnessing the potential of building blocks from the “chiral pool”, such as native cyclodextrins (CDs), as they often…
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…
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…
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…
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…
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…
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…
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…
Abstract Upon treatment with TBAF, CF3-substituted N-allenamides were transformed into γ-sultams. Cyclic sulfonamides bearing an ene-gem-difluorinated tether could be obtained by addition of acetic acid to the ammonium salt whereas TBAF alone provided the correspondingtrifluorinated ethyl sultams.…
Abstract Cu chelation in biological systems is of interest as a tool to study the metabolism of this essential metal or for applications in the case of diseases with a systemic or local Cu overload, such as Wilson's or Alzheimer's disease. The choice of the chelating agent must meet several…
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