Electronic bond tuning with heterocyclic carbenes

Laura Falivene, Lucia Caporaso, Luigi Cavallo, Heiko Jacobsen

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

We discuss the impact of the nature of the heterocyclic carbene ring, when used as a complex forming ligand, on the relative stability of key intermediates in three typical Ru, Pd and Au promoted reactions. Results show that P-heterocyclic carbenes have a propensity to increase the bonding of the labile ligand and of the substrate in Ru-promoted olefin metathesis, whereas negligible impact is expected on the stability of the ruthenacycle intermediate. In the case of Pd cross-coupling reactions, dissociation of a P-heterocyclic carbene is easier than dissociation of the N-heterocyclic analogue. In the case of the Au-OH synthon, the Au-OH bond is weakened with the P-heterocyclic carbene ligands. A detailed energy decomposition analysis is performed to rationalize these results. © 2013 The Royal Society of Chemistry.
Original languageEnglish (US)
Pages (from-to)7281
JournalDalton Transactions
Volume42
Issue number20
DOIs
StatePublished - 2013

ASJC Scopus subject areas

  • Inorganic Chemistry

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