N-Heterocyclic Carbene Complexes of Au, Pd and Pt as Effective Catalysts in Organic Synthesis

A Correa, Steven Patrick Nolan, Luigi Cavallo

Research output: Chapter in Book/Report/Conference proceedingChapter

50 Citations (Scopus)


N-Heterocyclic carbenes (NHC) have been developed in the last 20 years as effective alternatives to classical tertiary phosphines in transition metal-catalyzed transformations. The rapid development of this area is a result of synergistic interactions between experimental and computational chemists. Indeed, computer modeling has proven extremely useful in rationalizing large amount of experimental data, and thus has permitted to accelerate the pace at which this chemistry has been developed. In this review, we will discuss catalytic transformations involving NHC-containing gold, platinum, and palladium complexes. Particular attention is drawn to the fundamental insights that computational chemistry provided to rationalize mechanistic aspects of these processes.
Original languageEnglish
Title of host publicationComputational Mechanisms of Au and Pt Catalyzed Reactions
EditorsElena Soriano, José Marco-Contelles
Number of pages25
ISBN (Print)978-3-642-21082-2
Publication statusPublished - 2011

Publication series

NameTopics in Current Chemistry
ISSN (Print)0340-1022
ISSN (Electronic)1436-5049


  • Computational chemistry
  • Homogeneous catalysis
  • N-Heterocyclic
  • carbenes
  • Reaction pathways
  • Transition metal catalysis


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