A combined experimental and theoretical study examining the binding of N-heterocyclic carbenes (NHC) to the Cp*RuCl (Cp* = eta(5)-C5Me5) moiety: Insight into stereoelectronic differences between unsaturated and saturated NHC ligands

A C Hillier, W J Sommer, B S Yong, J L Petersen, L Cavallo, Steven Patrick Nolan

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327 Citations (Scopus)

Abstract

Combined solution calorimetric and quantum mechanics studies of reactions involving saturated and unsaturated N-heterocyclic carbene (NHC) ligands show that the difference in their relative bond dissociation energies is very small (1 kcal.mol(-1)). Structural and computational studies reveal small metric parameter differences. These observations in conjunction with relative reactivity profiles of NHC-modified ruthenium-based olefin metathesis catalysts suggest that very small changes in the donor properties of the NHC ligands can translate into significant differences in catalytic properties.

Original languageEnglish
Pages (from-to)4322-4326
Number of pages5
JournalOrganometallics
Volume22
Issue number21
DOIs
Publication statusPublished - 13 Oct 2003

Keywords

  • OLEFIN METATHESIS CATALYSTS
  • RING-CLOSING METATHESIS
  • TERTIARY PHOSPHINE-LIGANDS
  • CROSS-METATHESIS
  • IMIDAZOL-2-YLIDENE LIGANDS
  • TRISUBSTITUTED ALKENES
  • RUTHENIUM CATALYSTS
  • ORGANIC-SYNTHESIS
  • NEW-GENERATION
  • HERBARUMIN-I

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