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
- Daniel Storm
- Hrithik Manojkumar
Selected publications
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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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Contrasting reactivity of B-Cl and B-H bonds at [Ni(IMes)2] to form unsupported Ni-boryls
Audsley, G., Carpentier, A., Pécharman, A., Wright, J., Roseveare, T., Clark, E., Macgregor, S. & Riddlestone, I., 18 Jan 2024, In: Chemical Communications. 60, 7, p. 874-877 4 p.Research output: Contribution to journal › Article › peer-review
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In crystallo lattice adaptivity triggered by solid-gas reactions of cationic group 7 pincer complexes
Goodall, J., Sajjad, M., Thompson, E., Page, S., Kerrigan, A., Jenkins, H., Lynam, J., Macgregor, S. & Weller, A., 7 Sept 2023, In: Chemical Communications. 59, 72, p. 10749-10752 4 p.Research output: Contribution to journal › Article › peer-review
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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., Macgregor, S. & Weller, A., 11 Aug 2023, In: Faraday Discussions. 244, 0, p. 222-240 19 p.Research output: Contribution to journal › Article › peer-review
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Bridges and Vertices in Heteroboranes
Macgregor, S. & Welch, A., Jan 2023. 17 p.Research output: Contribution to conference › Paper › peer-review
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Effect of α-Substitution on the Reactivity of C(sp3)-H Bonds in Pd0-Catalyzed C-H Arylation
Wheatley, M., Zuccarello, M., Tsitopoulou, M., Macgregor, S. & Baudoin, O., 11 Sept 2023, In: ACS Catalysis. 13, 19, p. 12563-12570 8 p.Research output: Contribution to journal › Article › peer-review
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Mechanism of Cu-Catalyzed Iododeboronation: A Description of Ligand-Enabled Transmetalation, Disproportionation, and Turnover in Cu-Mediated Oxidative Coupling Reactions
Andrews, MJ., Carpentier, A., Slawin, AMZ., Cordes, DB., Macgregor, SA. & Watson, AJB., 7 Aug 2023, In: ACS Catalysis. 13, 16, p. 11117-11126 10 p.Research output: Contribution to journal › Article › peer-review
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Solid-State Confinement Effects in Selective exo-H/D Exchange in the Rhodium σ-Norbornane Complex [(Cy2PCH2CH2PCy2)Rh(η2:η2-C7H12)][BArF4]
Krämer, T., Chadwick, F., Macgregor, S. & Weller, A., Feb 2023, In: Helvetica Chimica Acta. 106, 2, 13 p.Research output: Contribution to journal › Article › peer-review
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Stability and C-H Bond Activation Reactions of Palladium(I) and Platinum(I) Metalloradicals: Carbon-to-Metal H-Atom Transfer and an Organometallic Radical Rebound Mechanism
Kramer, T., Gyton, M., Bustos, I., Sinclair, M., Tan, S., Wedge, C., Macgregor, S. & Chaplin, A., 15 Jun 2023, In: Journal of the American Chemical Society. 145, 25, p. 14087-14100 14 p.Research output: Contribution to journal › Article › peer-review
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The Photochemical Mediated Ring Contraction of 4H-1,2,6-Thiadiazines To Afford 1,2,5-Thiadiazol-3(2H)-one 1-Oxides
Broumidis, E., Thomson, CG., Gallagher, B., Sotorríos, L., Mckendrick, KG., Macgregor, SA., Paterson, MJ., Lovett, JE., Lloyd, GO., Rosair, GM., Kalogirou, AS., Koutentis, PA. & Vilela, F., 11 Sept 2023, In: Organic Letters. 25, 37, p. 6907-6912 6 p.Research output: Contribution to journal › Article › peer-review