title: Generating and trapping metalla-N-heterocyclic carbenes.
abstract: By means of a combined experimental and theoretical approach, the electronic features and chemical behavior of metalla-N-heterocyclic carbenes (MNHCs, N-heterocyclic carbenes containing a metal atom within the heterocyclic skeleton) have been established and compared with those of classical NHCs. MNHCs are strongly basic (proton affinity and pK(a) values around 290 kcal mol(-1) and 36, respectively) with a narrow singlet-triplet gap (around 23 kcal mol(-1)). MNHCs can be generated from the corresponding metalla-imidazolium salts and trapped by addition of transition-metal complexes affording the corresponding heterodimetallic dicarbene derivatives, which can serve as carbene transfer agents.
authors: Departamento de Química Orgánica e Inorgánica, Universidad de Oviedo, Facultad de Química, 33006 Oviedo (Spain). jruiz@uniovi.es.
authors: Javier
authors: J
authors: Ruiz
authors: Lucía
authors: L
authors: García
authors: Marilín
authors: M
authors: Vivanco
authors: Ángela
authors: Á
authors: Berros
authors: Juan Francisco
authors: JF
authors: Van der Maelen
keywords: N-heterocyclic carbenes; carbene ligands; density functional calculations; manganese; rhodium