Concept
Transition metal carbene complex
Publications associées (340)
Orbital-Resolved DFT plus U for Molecules and Solids
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We present an orbital-resolved extension of the Hubbard U correction to density-functional theory (DFT). Compared to the conventional shell-averaged approach, the prediction of energetic, electronic and structural properties is strongly improved, particula ...
Amer Chemical Soc2024Investigations about the Chemistry of Tetraarylethene- and Iridium-Based Luminophores
The work described in this thesis focuses on two classes of luminophores: tetraarylethene-based polymers and Ir(III) complexes with orthometalated ligands. Tetraarylethene-based polymers show aggregation-induced emission (AIE) and they are of interest for ...
EPFL2024Novel Alkynylation Methods through the Combination of Hypervalent Iodine Reagents and Alkynyl-trifluoroborate Salts
The alkyne motif is a versatile functional group often encountered in organic chemistry. It can be involved in various transformations such as the alkyne-azide cycloaddition and has found widespread application in medicinal chemistry, chemical biology and ...
EPFL2024Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals
Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...
EPFL2023Hybridization driving distortions and multiferroicity in rare-earth nickelates
Nicola Marzari, Iurii Timrov, Michele Kotiuga, Luca Binci
For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, RNiO3, stand out for their rich phase diagram stemming from complex couplings ...
College Pk2023Tuning the reactivity of uranium towards small molecules in multimetallic complexes
One of the main goals of organometallic chemistry in the last decades was the activation of small molecule in mild reaction conditions. Even though multiple examples of catalytic cycles able to produce fine chemicals from cheap and abundant sources using t ...
EPFL2023Synthesis, isolation and application of a sila-ketenyl anion
Rosario Scopelliti, Shiori Fujimori
Ynolates or ketenyl anions, [RCCO]-, are negatively charged reactive intermediates, which can be generated in situ and used for divergent chemical transformations. Ynolates can react either at the oxygen or carbon centres or across the C-C triple bond, mak ...
London2023Full Solution Process of a Near-Infrared Light-Emitting Electrochemical Cell Based on Novel Emissive Ruthenium Complexes of 1,10-Phenanthroline-Derived Ligands and a Eutectic Alloy as the Top Electrode
Near-infrared luminescent materials have recently received considerable attention for a large number of applications, including in solid-state lighting, as bioimaging agents, as photovoltaic cells, and in the telecommunication industry. By adding diverse e ...
AMER CHEMICAL SOC2023Tandem Hydroformylation-Aldol Condensation Reaction Enabled by Zn-MOF-74
The tandem hydroformylation-aldol condensation (tandem HF-AC) reaction offers an efficient synthetic route to the synthesis of industrially relevant products. The addition of Zn-MOF-74 to the cobalt-catalyzed hydroformylation of 1-hexene enables tandem HF- ...
WILEY-V C H VERLAG GMBH2023