A combined experimental and theoretical study examining the binding of N-heterocyclic carbenes (NHC) to the Cp*RuCl (Cp* = η5-C5Me5) moiety: Insight into stereoelectronic differences between unsaturated and saturated NHC ligands

Anna C. Hillier, William J. Sommer, Ben S. Yong, Jeffrey L. Petersen, Luigi Cavallo, Steven P. Nolan*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

332 Scopus citations

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 (US)
Pages (from-to)4322-4326
Number of pages5
JournalOrganometallics
Volume22
Issue number21
DOIs
StatePublished - Oct 13 2003
Externally publishedYes

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Organic Chemistry

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