Skip to content

Research at St Andrews

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

Author(s)

Mateusz K. Cybulski, David McKay, Stuart A. Macgregor, Mary F. Mahon, Michael K. Whittlesey

School/Research organisations

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.
Close

Details

Original languageEnglish
Pages (from-to)1515-1519
Number of pages5
JournalAngewandte Chemie International Edition
Volume56
Issue number6
Early online date9 Jan 2017
DOIs
Publication statusPublished - 1 Feb 2017

    Research areas

  • Density functional calculations, Homogeneous catalysis, Hydrodefluorination, N-heterocyclic carbenes, Ruthenium

Discover related content
Find related publications, people, projects and more using interactive charts.

View graph of relations

Related by journal

  1. Cu(OTf)2-mediated cross-coupling of nitriles and N-heterocycles with arylboronic acids to generate nitrilium and pyridinium products

    Bell, N., Xu, C., Fyfe, J., Vantourout, J. C., Brals, J., Chabbra, S., Bode, B. E., Cordes, D. B., Slawin, A. M. Z., McGuire, T. M. & Watson, A. J. B., 29 Mar 2021, In: Angewandte Chemie International Edition. 60, 14, p. 7935-7940 7 p.

    Research output: Contribution to journalArticlepeer-review

  2. Enantioselective synthesis of α-aryl-β2-amino-esters via cooperative isothiourea and Brønsted acid catalysis

    Smith, A. D., Zhao, F., Shu, C., Young, C. M., Carpenter-Warren, C. & Slawin, A. M. Z., Mar 2021, In: Angewandte Chemie International Edition. In press

    Research output: Contribution to journalArticlepeer-review

  3. Engineering of a peptide α-N-methyltransferase to methylate non-proteinogenic amino acids

    Naismith, J. H., Song, H., Burton, A. J., Shirran, S. L., Fahrig-Kamarauskaitė, J., Kaspar, H., Muir, T. W. & Künzler, M., 14 Apr 2021, (Accepted/In press) In: Angewandte Chemie International Edition.

    Research output: Contribution to journalArticlepeer-review

  4. Using the mechanical bond to tune the performance of a thermally activated delayed fluorescence emitter

    Rajamalli, P., Rizzi, F., Li, W., Jinks, M. A., Gupta, A. K., Laidlaw, B., Samuel, I. D. W., Penfold, T. J., Goldup, S. M. & Zysman-Colman, E., 5 Mar 2021, In: Angewandte Chemie International Edition.

    Research output: Contribution to journalArticlepeer-review

  5. Controlling single molecule conductance by a locally induced chemical reaction on individual thiophene units

    Michnowicz, T., Borca, B., Pétuya, R., Schendel, V., Pristl, M., Pentegov, I., Kraft, U., Klauk, H., Wahl, P., Mutombo, P., Jelínek, P., Arnau, A., Schlickum, U. & Kern, K., 18 Feb 2020, In: Angewandte Chemie International Edition. In press, 7 p.

    Research output: Contribution to journalArticlepeer-review

ID: 248916817

Top