Photochemical isomerization of N-heterocyclic carbene ruthenium hydride complexes: In situ photolysis, parahydrogen, and computational studies

Kirsten A M Ampt, Suzanne Burling, Steven M A Donald, Susie Douglas, Simon B Duckett, Stuart A Macgregor, Robin N Perutz, Michael K Whittlesey

Research output: Contribution to journalArticlepeer-review

24 Citations (Scopus)

Abstract

Low-temp. UV irradn. of the N-heterocyclic carbene complex Ru(IEt2Me2)(PPh3)2(CO)H2 (IEt2Me2 = 1,3-diethyl-1,3-dihydro-4,5-dimethyl-2H-imidazol-2-ylidene) leads to a remarkable photoisomerization reaction. By combining in situ photolysis and parahydrogen expts. to characterize the ultimate photoproducts and DFT calcns. to interrogate the structures of the key 16-electron intermediates, the importance of both PPh3 and H2 loss pathways was established.
Original languageEnglish
Pages (from-to)7452-7453
Number of pages2
JournalJournal of the American Chemical Society
Volume128
Issue number23
DOIs
Publication statusPublished - 2006

Keywords

  • Zero point energy (in situ photolysis
  • Potential energy surface
  • in situ photolysis
  • nonpreparative)
  • heterocyclic carbene ruthenium carbonyl hydrido phosphine photoisomerization kinetics mechanism
  • of ruthenium heterocyclic-carbene carbonyl hydrido phosphine isomeric complexes and photoisomerization intermediates)
  • parahydrogen
  • PROC (Pr
  • engineering or chemical process)
  • Total energy
  • Density functional theory
  • unclassified)
  • FMU (Formation
  • Isomerization
  • PRP (Properties)
  • FORM (Formation
  • and computational studies of photochem. isomerization of N-heterocyclic-carbene ruthenium carbonyl hydride phosphine complex)
  • RCT (Reactant)
  • PREP (Preparation)
  • Isomerization kinetics (photoisomerization
  • ruthenium imidazolinylidene carbonyl hydrido phosphine photoisomerization mechanism expt theory
  • PEP (Physical
  • CPS (Chemical process)
  • Carbene complexes Role
  • Molecular structure (optimized
  • SPN (Synthetic preparation)

Fingerprint Dive into the research topics of 'Photochemical isomerization of N-heterocyclic carbene ruthenium hydride complexes: In situ photolysis, parahydrogen, and computational studies'. Together they form a unique fingerprint.

Cite this