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

Access to Document

10.1021/ja0622397

Cite this

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

@article{b7776ad3212f48b9b119da9e998056c4,

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",

issn = "0002-7863",

publisher = "American Chemical Society (ACS)",

number = "23",

}

TY - JOUR

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.

UR - https://www.scopus.com/pages/publications/33745017394

U2 - 10.1021/ja0622397

DO - 10.1021/ja0622397

M3 - Article

AN - SCOPUS:33745017394

SN - 0002-7863

VL - 128

SP - 7452

EP - 7453

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

Access to Document

Other files and links

Fingerprint

Cite this