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Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway
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| dc.contributor.author | Cybulski, Mateusz K. | |
| dc.contributor.author | McKay, David | |
| dc.contributor.author | Macgregor, Stuart A. | |
| dc.contributor.author | Mahon, Mary F. | |
| dc.contributor.author | Whittlesey, Michael K. | |
| dc.date.accessioned | 2018-01-10T00:31:42Z | |
| dc.date.available | 2018-01-10T00:31:42Z | |
| dc.date.issued | 2017-02-01 | |
| dc.identifier.citation | 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 , vol. 56 , no. 6 , pp. 1515-1519 . https://doi.org/10.1002/anie.201610820 | en |
| dc.identifier.issn | 1521-3773 | |
| dc.identifier.other | PURE: 248916817 | |
| dc.identifier.other | PURE UUID: da4583d4-520e-4184-8067-52d2a4fbd4cb | |
| dc.identifier.other | Bibtex: urn:9ead556706c38ff9d6f977998175d3ec | |
| dc.identifier.other | Scopus: 85008462070 | |
| dc.identifier.other | ORCID: /0000-0003-0362-7848/work/29608107 | |
| dc.identifier.uri | http://hdl.handle.net/10023/12449 | |
| dc.description | The authors acknowledge the EPSRC (grant EP/J009962/1, DTA) for financial support | en |
| dc.description.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. | |
| dc.format.extent | 5 | |
| dc.language.iso | eng | |
| dc.relation.ispartof | Angewandte Chemie International Edition | en |
| dc.rights | © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at: https://doi.org/10.1002/anie.201610820 | en |
| dc.subject | Density functional calculations | en |
| dc.subject | Homogeneous catalysis | en |
| dc.subject | Hydrodefluorination | en |
| dc.subject | N-heterocyclic carbenes | en |
| dc.subject | Ruthenium | en |
| dc.subject | QD Chemistry | en |
| dc.subject | NDAS | en |
| dc.subject.lcc | QD | en |
| dc.title | Room temperature regioselective catalytic hydrodefluorination of fluoroarenes with trans-[Ru(NHC)4H2] through a concerted nucleophilic Ru−H attack pathway | en |
| dc.type | Journal article | en |
| dc.description.version | Postprint | en |
| dc.contributor.institution | University of St Andrews. School of Chemistry | en |
| dc.identifier.doi | https://doi.org/10.1002/anie.201610820 | |
| dc.description.status | Peer reviewed | en |
| dc.date.embargoedUntil | 2018-01-09 | |
| dc.identifier.url | http://onlinelibrary.wiley.com/doi/10.1002/anie.201610820/abstract#footer-support-info | en |
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