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

doi:10.1021/ja0622397

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

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	7452-7453
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	128
Issue number	23
DOIs	https://doi.org/10.1021/ja0622397
Publication status	Published - 14 Jun 2006

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Ampt, K. A. M., Burling, S., Donald, S. M. A., Douglas, S., Duckett, S. B., Macgregor, S. A., Perutz, R. N., & Whittlesey, M. K. (2006). Photochemical isomerization of N-heterocyclic carbene ruthenium hydride complexes: In situ photolysis, parahydrogen, and computational studies. Journal of the American Chemical Society, 128(23), 7452-7453. https://doi.org/10.1021/ja0622397

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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.",

author = "Ampt, {Kirsten A.M.} and Suzanne Burling and Donald, {Steven M.A.} and Susie Douglas and Duckett, {Simon B.} and Macgregor, {Stuart A.} and Perutz, {Robin N.} and Whittlesey, {Michael K.}",

year = "2006",

month = jun,

day = "14",

doi = "10.1021/ja0622397",

language = "English",

volume = "128",

pages = "7452--7453",

journal = "Journal of the American Chemical Society",

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T1 - Photochemical isomerization of N-heterocyclic carbene ruthenium hydride complexes

T2 - In situ photolysis, parahydrogen, and computational studies

AU - Ampt, Kirsten A.M.

AU - Burling, Suzanne

AU - Donald, Steven M.A.

AU - Douglas, Susie

AU - Duckett, Simon B.

AU - Macgregor, Stuart A.

AU - Perutz, Robin N.

AU - Whittlesey, Michael K.

PY - 2006/6/14

Y1 - 2006/6/14

N2 - 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.

AB - 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.

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U2 - 10.1021/ja0622397

DO - 10.1021/ja0622397

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JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 23

ER -

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

Abstract

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