Prof Stuart Macgregor
Chair in Computational Inorganic Chemistry
Biography
Stuart received his BSc and PhD from the University of Edinburgh, the latter working with Lesley Yellowlees and Alan Welch on metallaborane chemistry. He then won a NATO Western European Fellowship to work with Odile Eisenstein at the Université de Paris-Sud, where he focussed on computational chemistry and first encountered density functional theory. After two years as a post-doc at the Australian National University he returned to Edinburgh in 1997 to a lectureship at Heriot-Watt University where he was promoted to full professor in 2009. He served as Head of the Institute of Chemical Sciences from 2010 to 2015 and was Co-Director of the EPSRC CDT in Critical Resource Catalysis (CRITICAT) from 2014-2022. In January 2024 he took up the position of Chair of Computational Inorganic Chemistry at the University of St. Andrews. Stuart received the RSC’s 2019 Ludwig Mond Award for work on the mechanisms of C–H and C–F activation and the organometallic chemistry of σ-alkane complexes in the solid state. He was elected FRSE in 2020
PhD supervision
- Ted Brumsen
- Theo Hatcher
- Hrithik Manojkumar
- Daniel Storm
Selected publications
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Open access
An operationally unsaturated iridium-pincer complex that C–H activates methane and ethane in the crystalline solid-state
Gyton, M. R., Sajjad, M. A., Storm, D. J., Altus, K. M., Goodall, J. C., Johnson, C. L., Page, S. J., Edwards, A. J., Piltz, R. O., Duckett, S. B., Macgregor, S. A. & Weller, A. S., 12 Mar 2025, In: Journal of the American Chemical Society. 147, 10, p. 8706-8719 14 p.Research output: Contribution to journal › Article › peer-review
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Open access
The mechanism of ruthenium-catalyzed directed C─H arylation of arenes: the key role of bis-cyclometalated intermediates
Domingo-Legarda, P., Neale, S. E., Carpentier, A., McMullin, C. L., Findlay, M., Larrosa, I. & Macgregor, S. A., 6 May 2025, (E-pub ahead of print) In: Angewandte Chemie International Edition. Early View, 10 p., e202506707.Research output: Contribution to journal › Article › peer-review
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Open access
ZnH2 as a precursor to catalytically active Ru–ZnH heterometallic complexes
Pecharman, A.-F., Carpentier, A., Lowe, J. P., Macgregor, S. A., Mahon, M. F. & Whittlesey, M. K., 3 Mar 2025, In: Inorganic Chemistry. 64, 8, p. 4043-4051 9 p.Research output: Contribution to journal › Article › peer-review
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Open access
A gold(I)-acetylene complex synthesised using single-crystal reactivity
Johnson, C. L., Storm, D. J., Sajjad, M. A., Gyton, M. R., Duckett, S. B., Macgregor, S. A., Weller, A. S., Navarro, M. & Campos, J., 22 Jul 2024, In: Angewandte Chemie International Edition. 63, 30, 6 p., e202404264.Research output: Contribution to journal › Article › peer-review
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Open access
Catalyst design for Rh-catalysed arene and alkane C-H borylation: the NHC affects the induction period and indenyl is superior to Cp
Morton, P., Boyce, A., Pišpek, A., Stewart, L., Ward, D., Tegner, B., Macgregor, S. A. & Mansell, S. M., 28 Mar 2024, (E-pub ahead of print) In: Organometallics. 13 p.Research output: Contribution to journal › Article › peer-review
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Open access
Contrasting reactivity of B-Cl and B-H bonds at [Ni(IMes)2] to form unsupported Ni-boryls
Audsley, G., Carpentier, A., Pécharman, A.-F., Wright, J., Roseveare, T. M., Clark, E. R., Macgregor, S. A. & Riddlestone, I. M., 21 Jan 2024, In: Chemical Communications. 60, 7, p. 874-877 4 p.Research output: Contribution to journal › Article › peer-review
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Open access
Isolobal cationic iridium dihydride and dizinc complexes: a dual role for the ZnR ligand enhances H2 activation
Walsh, A. M., Sotorrios, L., Cameron, R. G., Pécharman, A.-F., Procacci, B., Lowe, J. P., Macgregor, S. A., Mahon, M. F., Hunt, N. T. & Whittlesey, M. K., 20 Nov 2024, In: Inorganic Chemistry. 63, 48, p. 22944-22954 11 p.Research output: Contribution to journal › Article › peer-review
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Open access
Solid/gas in crystallo reactivity of an Ir(I) methylidene complex
Altus, K. M., Sajjad, M. A., Gyton, M. R., Whitwood, A. C., Page, S. J., Macgregor, S. A. & Weller, A. S., 23 Dec 2024, In: Organometallics. 43, 24, p. 3137-3142 6 p.Research output: Contribution to journal › Article › peer-review
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Open access
Transition metal-free catalytic C−H zincation and alumination
Kumar Bisai, M., Losiewicz, J., Sotorrios, L., Nichol, G. S., Dominey, A. P., Cowley, M. J., Thomas, S. P., Macgregor, S. A. & Ingleson, M. J., 10 Jun 2024, In: Angewandte Chemie International Edition. 63, 24, 11 p., e202404848.Research output: Contribution to journal › Article › peer-review
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Open access
A comparison of non-covalent interactions in the crystal structures of two σ-alkane complexes of Rh exhibiting contrasting stabilities in the solid state
Sajjad, M. A., Macgregor, S. A. & Weller, A. S., 1 Aug 2023, In: Faraday Discussions. 244, p. 222-240 19 p.Research output: Contribution to journal › Article › peer-review