Photochemical isomerization of N-heterocyclic carbene ruthenium hydride complexes: in situ photolysis, parahydrogen, and computational studies.
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.
Ampt
Kirsten A M
KA
Department of Chemistry, University of York, Heslington, York YO10 5DD, UK.
Burling
Suzanne
S
Donald
Steven M A
SM
Douglas
Susie
S
Duckett
Simon B
SB
Macgregor
Stuart A
SA
Perutz
Robin N
RN
Whittlesey
Michael K
MK