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

K. A M Ampt; Suzanne Burling; S. 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

K. A M Ampt
, Suzanne Burling
, S. M A Donald
, Susie Douglas
, Simon B. Duckett
, Stuart A. Macgregor
, Robin N. Perutz
, Michael K. Whittlesey

School of Engineering & Physical Sciences

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

26 Citations (Scopus)

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. Copyright © 2006 American Chemical Society.

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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10.1021/ja0622397

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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

@article{bb7032ec01544605b04d76ab37306af9,

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. Copyright {\textcopyright} 2006 American Chemical Society.",

author = "Ampt, \{K. A M\} and Suzanne Burling and Donald, \{S. 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",

number = "23",

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TY - JOUR

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

T2 - In situ photolysis, parahydrogen, and computational studies

AU - Ampt, K. A M

AU - Burling, Suzanne

AU - Donald, S. 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. Copyright © 2006 American Chemical Society.

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. Copyright © 2006 American Chemical Society.

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

U2 - 10.1021/ja0622397

DO - 10.1021/ja0622397

M3 - Article

C2 - 16756294

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

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