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Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway

Research output: Contribution to journalArticlepeer-review

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Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway. / Cybulski, Mateusz K.; McKay, David; Macgregor, Stuart A.; Mahon, Mary F.; Whittlesey, Michael K.

In: Angewandte Chemie International Edition, Vol. 56, No. 6, 01.02.2017, p. 1515-1519.

Research output: Contribution to journalArticlepeer-review

Harvard

Cybulski, MK, McKay, D, Macgregor, SA, Mahon, MF & Whittlesey, MK 2017, 'Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway', Angewandte Chemie International Edition, vol. 56, no. 6, pp. 1515-1519. https://doi.org/10.1002/anie.201610820

APA

Cybulski, M. K., McKay, D., Macgregor, S. A., Mahon, M. F., & Whittlesey, M. K. (2017). Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway. Angewandte Chemie International Edition, 56(6), 1515-1519. https://doi.org/10.1002/anie.201610820

Vancouver

Cybulski MK, McKay D, Macgregor SA, Mahon MF, Whittlesey MK. Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway. Angewandte Chemie International Edition. 2017 Feb 1;56(6):1515-1519. https://doi.org/10.1002/anie.201610820

Author

Cybulski, Mateusz K. ; McKay, David ; Macgregor, Stuart A. ; Mahon, Mary F. ; Whittlesey, Michael K. / Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway. In: Angewandte Chemie International Edition. 2017 ; Vol. 56, No. 6. pp. 1515-1519.

Bibtex - Download

@article{da4583d4520e4184806752d2a4fbd4cb,
title = "Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway",
abstract = "The efficient and highly selective room temperature hydrodefluorination (HDF) of fluoroarenes by the trans-[Ru(IMe4)4H2] catalyst, 3, is reported. Mechanistic studies show 3 acts directly in catalysis without any ligand dissociation and DFT calculations indicate a concerted nucleophilic attack mechanism. The calculations fully account for the observed selectivities which corroborate earlier predictions regarding the selectivity of HDF.",
keywords = "Density functional calculations, Homogeneous catalysis, Hydrodefluorination, N-heterocyclic carbenes, Ruthenium",
author = "Cybulski, {Mateusz K.} and David McKay and Macgregor, {Stuart A.} and Mahon, {Mary F.} and Whittlesey, {Michael K.}",
note = "The authors acknowledge the EPSRC (grant EP/J009962/1, DTA) for financial support ",
year = "2017",
month = feb,
day = "1",
doi = "10.1002/anie.201610820",
language = "English",
volume = "56",
pages = "1515--1519",
journal = "Angewandte Chemie International Edition",
issn = "1433-7851",
publisher = "John Wiley & Sons, Ltd.",
number = "6",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway

AU - Cybulski, Mateusz K.

AU - McKay, David

AU - Macgregor, Stuart A.

AU - Mahon, Mary F.

AU - Whittlesey, Michael K.

N1 - The authors acknowledge the EPSRC (grant EP/J009962/1, DTA) for financial support

PY - 2017/2/1

Y1 - 2017/2/1

N2 - The efficient and highly selective room temperature hydrodefluorination (HDF) of fluoroarenes by the trans-[Ru(IMe4)4H2] catalyst, 3, is reported. Mechanistic studies show 3 acts directly in catalysis without any ligand dissociation and DFT calculations indicate a concerted nucleophilic attack mechanism. The calculations fully account for the observed selectivities which corroborate earlier predictions regarding the selectivity of HDF.

AB - The efficient and highly selective room temperature hydrodefluorination (HDF) of fluoroarenes by the trans-[Ru(IMe4)4H2] catalyst, 3, is reported. Mechanistic studies show 3 acts directly in catalysis without any ligand dissociation and DFT calculations indicate a concerted nucleophilic attack mechanism. The calculations fully account for the observed selectivities which corroborate earlier predictions regarding the selectivity of HDF.

KW - Density functional calculations

KW - Homogeneous catalysis

KW - Hydrodefluorination

KW - N-heterocyclic carbenes

KW - Ruthenium

UR - http://onlinelibrary.wiley.com/doi/10.1002/anie.201610820/abstract#footer-support-info

U2 - 10.1002/anie.201610820

DO - 10.1002/anie.201610820

M3 - Article

VL - 56

SP - 1515

EP - 1519

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

SN - 1433-7851

IS - 6

ER -

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