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 photopr...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2006-06, Vol.128 (23), p.7452-7453
Main Authors: Ampt, Kirsten A. M, Burling, Suzanne, Donald, Steven M. A, Douglas, Susie, Duckett, Simon B, Macgregor, Stuart A, Perutz, Robin N, Whittlesey, Michael K
Format: Article
Language:English
Subjects:
Chemistry
Exact sciences and technology
General and physical chemistry
Photochemistry
Physical chemistry of induced reactions (with radiations, particles and ultrasonics)
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Summary: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.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja0622397