title: A hybrid carbocyclic/N-heterocyclic carbene ligand.
abstract: We report the synthesis and characterisation of the first complex bearing a bidentate carbocyclic/N-heterocyclic carbene ligand, which represents an unprecedented combination of these two carbene classes. Starting from an unsubstituted cycloheptatrienylidene-Pd complex, the ligand was built up in an on-site synthesis at the metal center. DFT calculations were employed to understand the crucial allyl-to-alkyl rearrangement of the carbocycle in this sequence and all its binding modes during the reaction cascade were crystallographically characterised.
authors.affiliation: Catalysis Research Center & Department of Chemistry, Technische Universität München, Ernst-Otto-Fischer-Str. 1, 85747 Garching, Germany. alexander.poethig@tum.de.
authors.forename: Christian
authors.initials: C
authors.lastname: Jandl
authors.affiliation: Catalysis Research Center & Department of Chemistry, Technische Universität München, Ernst-Otto-Fischer-Str. 1, 85747 Garching, Germany. alexander.poethig@tum.de.
authors.forename: Alexander
authors.identifier: http://orcid.org/0000-0003-4663-3949
authors.initials: A
authors.lastname: Pöthig