title: Photochemical isomerization of N-heterocyclic carbene ruthenium hydride complexes: in situ photolysis, parahydrogen, and computational studies.
abstract: Low-temperature UV irradiation of the N-heterocyclic carbene complex Ru(IEt2Me2)(PPh3)2(CO)H2 (IEt2Me2 = 1,3-bis(ethyl)-4,5-dimethylimidazol-2-ylidene) leads to a remarkable photoisomerization reaction. By combining in situ photolysis and parahydrogen experiments to characterize the ultimate photoproducts and DFT calculations to interrogate the structures of the key 16-electron intermediates, the importance of both PPh3 and H2 loss pathways has been established.
authors.affiliation: Department of Chemistry, University of York, Heslington, York YO10 5DD, UK.
authors.forename: Kirsten A M
authors.initials: KA
authors.lastname: Ampt
authors.forename: Suzanne
authors.initials: S
authors.lastname: Burling
authors.forename: Steven M A
authors.initials: SM
authors.lastname: Donald
authors.forename: Susie
authors.initials: S
authors.lastname: Douglas
authors.forename: Simon B
authors.initials: SB
authors.lastname: Duckett
authors.forename: Stuart A
authors.initials: SA
authors.lastname: Macgregor
authors.forename: Robin N
authors.initials: RN
authors.lastname: Perutz
authors.forename: Michael K
authors.initials: MK
authors.lastname: Whittlesey