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2020

A Structurally Characterized Cobalt(I) σ-Alkane Complex

Boyd, T. M., Tegner, B., Tizzard, G., Martinez-Martinez, A., Neale, S., Hayward, M., Coles, S., Macgregor, S. & Weller, A. S., 15 Jan 2020, In : Angewandte Chemie International Edition.

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Zn-Promoted C-H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate

Miloserdov, F. M., Rajabi, N. A., Lowe, J. P., Mahon, M. F., Macgregor, S. A. & Whittlesey, M. K., 5 Mar 2020, In : Journal of the American Chemical Society.

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2019

A Career in Catalysis: Odile Eisenstein

Balcells, D., Clot, E., Macgregor, S. A., Maseras, F. & Perrin, L., 1 Nov 2019, In : ACS Catalysis. 9, 11, p. 10375-10388 14 p.

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A d10 Ag(i) amine-borane σ-complex and comparison with a d8 Rh(i) analogue: structures on the η1 to η2:η2 continuum

Johnson, A., Martínez-Martínez, A. J., Macgregor, S. A. & Weller, A. S., 23 Apr 2019, In : Dalton Transactions. 48, 26, p. 9776-9781 6 p.

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Base-Promoted, Remote C-H Activation at a Cationic (η5-C5Me5)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C5Me5

Moreno, J. J., Espada, M. F., Campos, J., López-Serrano, J., Macgregor, S. A. & Carmona, E., 13 Feb 2019, In : Journal of the American Chemical Society. 141, 6, p. 2205-2210 6 p.

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N-Heterocyclic Carbene Non-Innocence in the Catalytic Hydrophosphination of Alkynes

Blackaby, W. J. M., Neale, S. E., Isaac, C. J., Sabater, S., Macgregor, S. A. & Whittlesey, M. K., 4 Apr 2019, In : ChemCatChem. 11, 7, p. 1893-1897 5 p.

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Reductive Elimination at Carbon under Steric Control

Tolentino, D. R., Neale, S. E., Isaac, C. J., MacGregor, S. A., Whittlesey, M. K., Jazzar, R. & Bertrand, G., 26 Jun 2019, In : Journal of the American Chemical Society. 141, 25, p. 9823-9826 4 p.

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Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes

McKay, A. I., Bukvic, A. J., Tegner, B. E., Burnage, A. L., Martı́nez-Martı́nez, A. J., Rees, N. H., Macgregor, S. A. & Weller, A. S., 24 Jul 2019, In : Journal of the American Chemical Society. 141, 29, p. 11700-11712 13 p.

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Room Temperature Iron-Catalyzed Transfer Hydrogenation and Regioselective Deuteration of Carbon-Carbon Double Bonds

Espinal-Viguri, M., Neale, S. E., Coles, N. T., Macgregor, S. A. & Webster, R. L., 9 Jan 2019, In : Journal of the American Chemical Society. 141, 1, p. 572-582 11 p.

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The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation

Alharis, R. A., McMullin, C. L., Davies, D. L., Singh, K. & Macgregor, S. A., 5 Jun 2019, In : Journal of the American Chemical Society. 141, 22, p. 8896-8906 11 p.

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The role of neutral Rh(PONOP)H, free NMe2H, boronium and ammonium salts in the dehydrocoupling of dimethylamine-borane using the cationic pincer [Rh(PONOP)(η2-H2)]+ catalyst

Spearing-Ewyn, E. A. K., Beattie, N. A., Colebatch, A. L., Martínez-Martínez, A. J., Docker, A., Boyd, T. M., Baillie, G., Reed, R., Macgregor, S. A. & Weller, A. S., 21 Oct 2019, In : Dalton Transactions. 48, 39, p. 14724-14736 13 p.

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Understanding electronic effects on carboxylate-assisted C-H activation at ruthenium: the importance of kinetic and thermodynamic control

Alharis, R. A., McMullin, C. L., Davies, D. L., Singh, K. & Macgregor, S. A., 1 Dec 2019, In : Faraday Discussions. 220, p. 386-403 18 p.

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2018

Benzoate Cyclometalation Enables Oxidative Addition of Haloarenes at a Ru(II) Center

Simonetti, M., Kuniyil, R., Macgregor, S. A. & Larrosa, I., 19 Sep 2018, In : Journal of the American Chemical Society. 140, 37, p. 11836–11847 12 p.

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Controlling Structure and Reactivity in Cationic Solid-State Molecular Organometallic Systems Using Anion Templating

McKay, A. I., Martínez-Martínez, A. J., Griffiths, H. J., Rees, N. H., Waters, J. B., Weller, A. S., Krämer, T. & Macgregor, S. A., 22 Oct 2018, In : Organometallics. 37, 20, p. 3524-3532 9 p.

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Dehydropolymerization of H3B·NMeH2 to Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts

Adams, G. M., Colebatch, A. L., Skornia, J. T., McKay, A. I., Johnson, H. C., Lloyd-Jones, G. C., Macgregor, S. A., Beattie, N. A. & Weller, A. S., 31 Jan 2018, In : Journal of the American Chemical Society. 140, 4, p. 1481-1495 15 p.

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Modulation of σ-Alkane Interactions in [Rh(L2)(alkane)]+ Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η2,η2-σ-Alkane Rh(I), η1-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation

Martínez-Martínez, A. J., Tegner, B. E., McKay, A. I., Bukvic, A. J., Rees, N. H., Tizzard, G. J., Coles, S. J., Warren, M. R., Macgregor, S. A. & Weller, A. S., 7 Nov 2018, In : Journal of the American Chemical Society. 140, 44, p. 14958–14970 13 p.

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Well-Defined Heterobimetallic Reactivity at Unsupported Ruthenium–Indium Bonds

Riddlestone, I. M., Rajabi, N. A., Macgregor, S. A., Mahon, M. F. & Whittlesey, M. K., 1 Feb 2018, In : Chemistry - A European Journal. 24, 7, p. 1732-1738 7 p.

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2017

Computation Provides Chemical Insight into the Diverse Hydride NMR Chemical Shifts of [Ru(NHC)4(L)H]0/+ Species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H-, F- and Cl-) and their [Ru(R2PCH2CH2PR2)2(L)H]+ Congeners

Haller, J., Mas-Marzá, E., Cybulski, M. K., Sanguramath, R. A., Macgregor, S. A., Mahon, M. F., Raynaud, C., Russell, C. A. & Whittlesey, M. K., 7 Mar 2017, In : Dalton Transactions. 46, 9, p. 2861-2873 13 p.

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Convergent (De)Hydrogenative Pathways via a Rhodium α-Hydroxylalkyl Complex

Sung, S., Boon, J. K., Lee, J. J. C., Rajabi, N. A., Macgregor, S. A., Krämer, T. & Young, R. D., 24 Apr 2017, In : Organometallics. 36, 8, p. 1609-1617 9 p.

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Deciphering the mechanism of the nickel-catalyzed hydroalkoxylation reaction: A combined experimental and computational study

Mifleur, A., Mérel, D. S., Mortreux, A., Suisse, I., Capet, F., Trivelli, X., Sauthier, M. & Macgregor, S. A., 6 Oct 2017, In : ACS Catalysis. 7, 10, p. 6915-6923 9 p.

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Fluoroarene Complexes with Small Bite Angle Bisphosphines: Routes to Amine–Borane and Aminoborylene Complexes

Colebatch, A. L., McKay, A. I., Beattie, N. A., Macgregor, S. A. & Weller, A. S., 25 Oct 2017, In : European Journal of Inorganic Chemistry. 2017, 38-39, p. 4533-4540 8 p.

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Mild sp2Carbon-Oxygen Bond Activation by an Isolable Ruthenium(II) Bis(dinitrogen) Complex: Experiment and Theory

Lau, S., Ward, B., Zhou, X., White, A. J. P., Casely, I. J., Macgregor, S. A. & Crimmin, M. R., 25 Sep 2017, In : Organometallics. 36, 18, p. 3654-3663 10 p.

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Room Temperature Regioselective Catalytic Hydrodefluorination of Fluoroarenes with trans-[Ru(NHC)4H2] via a Concerted Nucleophilic Ru-H Attack Pathway

Cybulski, M. K., McKay, D., Macgregor, S. A., Mahon, M. F. & Whittlesey, M. K., 1 Feb 2017, In : Angewandte Chemie International Edition. 56, 6, p. 1515–1519 5 p.

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Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates

Chadwick, F. M., McKay, A. I., Martinez-Martinez, A. J., Rees, N. H., Krämer, T., Macgregor, S. A. & Weller, A. S., 1 Sep 2017, In : Chemical Science. 8, 9, p. 6014-6029 16 p.

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2016

[Pd4(μ3-SbMe3)4(SbMe3)4]: A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands

Benjamin, S. L., Krämer, T., Levason, W., Light, M. E., Macgregor, S. A. & Reid, G., 8 Jun 2016, In : Journal of the American Chemical Society. 138, 22, p. 6964–6967 4 p.

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14-Vertex Heteroboranes with 14 Skeletal Electron Pairs: An Experimental and Computational Study

Robertson, A., Beattie, N., Scott, G., Man, W., Jones, J., Macgregor, S. A., Rosair, G. M. & Welch, A. J., 18 Jul 2016, In : Angewandte Chemie International Edition. 55, 30, p. 8706-8710 5 p.

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Activation of H-2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)(2)(CO)ZnEt](+)

Riddlestone, I. M., Rajabi, N. A., Lowe, J. P., Mahon, M. F., Macgregor, S. A. & Whittlesey, M. K., 7 Sep 2016, In : Journal of the American Chemical Society. 138, 35, p. 11081-11084 4 p.

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A Rhodium-pentane sigma-alkane complex: Characterization in the solid-state by experimental and computational techniques

Chadwick, F. M., Rees, N. H., Weller, A. S., Krämer, T., Iannuzzi, M. & Macgregor, S. A., 7 Mar 2016, In : Angewandte Chemie International Edition. 55, 11, p. 3677–3681 5 p.

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Cobalt-Catalyzed Oxidase C-H/N-H Alkyne Annulation: Mechanistic Insights and Access to Anticancer Agents

Mei, R., Wang, H., Warratz, S., Macgregor, S. A. & Ackermann, L., 10 May 2016, In : Chemistry - A European Journal. 22, 20, p. 6759–6763 5 p.

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Correction: Dehydrocoupling of phosphine–boranes using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] precatalyst: stoichiometric and catalytic studies

Hooper, T. N., Weller, A. S., Beattie, N. A. & Macgregor, S. A., 1 Mar 2016, In : Chemical Science. 7, 3, p. 2437 1 p.

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Dehydrocoupling of phosphine-boranes using the [RhCp∗Me(PMe3)(CH2Cl2)][BArF 4] precatalyst: Stoichiometric and catalytic studies

Hooper, T. N., Weller, A. S., Beattie, N. A. & Macgregor, S. A., 1 Mar 2016, In : Chemical Science. 7, 3, p. 2414-2426 13 p.

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Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt3)] and [(NHC)Cu(HB(C6F5)3)]

Collins, L. R., Rajabi, N. A., Macgregor, S. A., Mahon, M. F. & Whittlesey, M. K., 5 Dec 2016, In : Angewandte Chemie International Edition. 55, 50, p. 15539–15543

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Formation of a σ-alkane Complex and a Molecular Rearrangement in the Solid-State: [Rh(Cyp2PCH2CH2PCyp2)(η2:η2-C7H12)][BArF4]

McKay, A. I., Krämer, T., Rees, N. H., Thompson, A. L., Christensen, K. E., Macgregor, S. A. & Weller, A. S., 23 Sep 2016, In : Organometallics.

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Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward EH (E = H, B) Bonds

Riddlestone, I., McKay, D., Gutmann, M. J., Macgregor, S. A., Mahon, M. F., Sparkes, H. A. & Whittlesey, M. K., 9 May 2016, In : Organometallics. 35, 9, p. 1301–1312 12 p.

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Isothiourea-catalysed enantioselective pyrrolizine synthesis: Synthetic and computational studies

Stark, D. G., Williamson, P., Gayner, E., Musolino, S. F., Kerr, R. W. F., Taylor, J. E., Slawin, A. M. Z., O'Riordan, T. J. C., Macgregor, S. A. & Smith, A. D., 14 Oct 2016, In : Organic and Biomolecular Chemistry. 14, 38, p. 8957-8965 9 p.

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Redox-mediated reactions of vinylferrocene: toward redox auxiliaries

Wiles, A. A., Zhang, X., Fitzpatrick, B., Long, D-L., Macgregor, S. A. & Cooke, G., 7 May 2016, In : Dalton Transactions. 45, 17, p. 7220-7225 6 p.

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Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange

Chadwick, F. M., Krämer, T., Gutmann, T., Rees, N. H., Thompson, A. L., Edwards, A. J., Buntkowsky, G., Macgregor, S. A. & Weller, A. S., 12 Oct 2016, In : Journal of the American Chemical Society. 138, 40, p. 13369-13378 10 p.

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Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes

Schäfer, M., Beattie, N., Geetharani, K., Schäfer, J., Ewing, W. C., Krahfuß, M., Hörl, C., Dewhurst, R. D., Macgregor, S. A., Lambert, C. & Braunschweig, H., 6 Jun 2016, In : Journal of the American Chemical Society. 138, 26, p. 8212-8220

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The Simplest Amino-borane H2B=NH2 Trapped on a Rhodium Dimer: Pre-Catalysts for Amine-Borane Dehydropolymerization

Kumar, A., Beattie, N., Pike, S. D., Macgregor, S. A. & Weller, A. S., 1 Jun 2016, In : Angewandte Chemie International Edition. 55, 23, p. 6651–6656 6 p.

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2015
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Combined experimental and computational investigations of rhodium-catalysed C-H functionalisation of pyrazoles with alkenes

Algarra, A. G., Davies, D. L., Khamker, Q., Macgregor, S. A., McMullin, C. L., Singh, K. & Villa-Marcos, B., 9 Feb 2015, In : Chemistry - A European Journal. 21, 7, p. 3087-3096 10 p.

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Exceedingly facile Ph-X activation (X=Cl, Br, I) with ruthenium(II): Arresting kinetics, autocatalysis, and mechanisms

Miloserdov, F. M., Mckay, D., Muñoz, B. K., Samouei, H., Macgregor, S. A. & Grushin, V. V., 13 Jul 2015, In : Angewandte Chemie International Edition. 54, 29, p. 8466–8470 5 p.

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Experimental and DFT studies explain solvent control of C-H activation and product selectivity in the Rh(III)-catalysed formation of neutral and cationic heterocycles

Davies, D. L., Ellul, C. E., Macgregor, S. A., McMullin, C. L. & Singh, K., 5 Aug 2015, In : Journal of the American Chemical Society. 137, 30, p. 9659–9669

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Gold-Catalyzed Proto- and Deuterodeboronation

Barker, G., Webster, S., Johnson, D. G., Curley, R., Andrews, M., Young, P. C., Macgregor, S. A. & Lee, A-L., 16 Oct 2015, In : Journal of Organic Chemistry. 80, 20, p. 9807-9816 10 p.

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Icosahedral metallacarborane/carborane species derived from 1,1′-bis(o-carborane)

Thiripuranathar, G., Man, W. Y., Palmero Palos, C., Chan, A. P. Y., Leube, B. T., Ellis, D., McKay, D., Macgregor, S. A., Jourdan, L., Rosair, G. M. & Welch, A. J., 28 Mar 2015, In : Dalton Transactions. 44, 12, p. 5628-5637 10 p.

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Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C–F Activation and Chemoselectivity of C–F versus C–H Bond Cleavage

Mckay, D., Riddlestone, I. M., Macgregor, S. A., Mahon, M. F. & Whittlesey, M. K., 6 Feb 2015, In : ACS Catalysis. 5, 2, p. 776-787 12 p.

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Solid-state synthesis and characterization of σ-alkane complexes, [Rh(L2)(η22-C7H12)][BArF 4] (L2 = bidentate chelating phosphine)

Pike, S. D., Chadwick, F. M., Rees, N. H., Scott, M. P., Weller, A. S., Kraemer, T. & Macgregor, S. A., 21 Jan 2015, In : Journal of the American Chemical Society. 137, 2, p. 820-833 14 p.

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Stoichiometric and catalytic solid-gas reactivity of rhodium bis-phosphine complexes

Pike, S. D., Kraemer, T., Rees, N. H., Macgregor, S. A. & Weller, A. S., 27 Apr 2015, In : Organometallics. 34, 8, p. 1487-1497 11 p.

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2014

A combined experimental and computational study of fluxional processes in sigma amine-borane complexes of rhodium and iridium

Algarra, A. G., Sewell, L. J., Johnson, H. C., Macgregor, S. A. & Weller, A. S., 7 Aug 2014, In : Dalton Transactions. 43, 29, p. 11118-11128 11 p.

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