Find Research outputs

Search results

• 2021

  Selectivity of Rh···H-C Binding in a σ-Alkane Complex Controlled by the Secondary Microenvironment in the Solid-State

  Furfari, S. K., Tegner, B. E., Burnage, A. L., Doyle, L. R., Bukvic, A. J., Macgregor, S. A. & Weller, A. S., 10 Feb 2021, In: Chemistry - A European Journal. 27, 9, p. 3177-3183 7 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Alkanes
  • Norbornanes
  • Density Functional Theory
  • phosphine
  • Metals
• 2020

  Accurate computed spin-state energetics for Co(iii) complexes: implications for modelling homogeneous catalysis

  Neale, S. E., Pantazis, D. A. & Macgregor, S. A., 21 May 2020, In: Dalton Transactions. 49, 19, p. 6478-6487 10 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Catalysis
  • Metals
  • Electrons
  1 Citation (Scopus)

  8 Downloads (Pure)

• A Neutral Heteroatomic Zintl Cluster for the Catalytic Hydrogenation of Cyclic Alkenes

  Townrow, O. P. E., Chung, C., Macgregor, S. A., Weller, A. S. & Goicoechea, J. M., 28 Oct 2020, In: Journal of the American Chemical Society. 142, 43, p. 18330-18335 6 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • 1,5-cyclooctadiene
  • Cyclooctanes
  • Cycloparaffins
  • Hydrogenation
  • Alkanes
  1 Downloads (Pure)

• 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., 6 Apr 2020, In: Angewandte Chemie International Edition. 59, 15, p. 6177-6181 5 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Cobalt
  • Paraffins
  • Single crystals
  • Norbornanes
  • X ray crystallography
  3 Citations (Scopus)

  14 Downloads (Pure)

• Impact of the Novel Z-Acceptor Ligand Bis{(ortho-diphenylphosphino)phenyl}zinc (ZnPhos) on the Formation and Reactivity of Low-Coordinate Ru(0) Centers

  Miloserdov, F. M., Isaac, C. J., Beck, M. L., Burnage, A. L., Farmer, J. C. B., Macgregor, S. A., Mahon, M. F. & Whittlesey, M. K., 2 Nov 2020, In: Inorganic Chemistry. 59, 21, p. 15606-15619 14 p.

  Research output: Contribution to journal › Article › peer-review

  • Carbon Monoxide
  • Zinc
  • Ligands
  • Density Functional Theory
  1 Citation (Scopus)

• Unexpected Vulnerability of DPEphos to C-O Activation in the Presence of Nucleophilic Metal Hydrides

  Cybulski, M. K., Beattie, N. A., MacGregor, S., Mahon, M. F. & Whittlesey, M. K., 1 Sep 2020, In: Chemistry - A European Journal. 26, 49, p. 11141-11145 5 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Metals
  • Ligands
  • carbene
  • Density Functional Theory
  • Heating
  1 Citation (Scopus)

  5 Downloads (Pure)

• 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., 1 Apr 2020, In: Journal of the American Chemical Society. 142, 13, p. 6340-6349 10 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • 12-crown-4
  • Ligands
  • Chemical activation
  • Hydrogen
  • Alkanes
  6 Citations (Scopus)
• 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.

  Research output: Contribution to journal › Article › peer-review

  • Catalysis
  • Metal complexes
  • Alkenes
  • Computational chemistry
  • Catalytic oxidation
  1 Citation (Scopus)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Electronic structure
  • Molecular structure
  • pyridine
  • Amines
  • Metals
  6 Citations (Scopus)

  25 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Ligands
  • Chemical activation
  • phosphine
  • Thermodynamics
  7 Citations (Scopus)

  12 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • carbene
  • alkynes
  • Alkynes
  • carbenes
  • Negative ions
  2 Citations (Scopus)

  5 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Carbon
  • carbene
  • Chemical activation
  • Metals
  • Transition metals
  14 Citations (Scopus)

  13 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Alkanes
  • Temperature
  • 1,4-cyclohexadiene
  • Density Functional Theory
  • Cyclohexane
  10 Citations (Scopus)

  16 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Hydrogenation
  • Carbon
  • Amines
  • Boranes
  • Iron
  20 Citations (Scopus)

  205 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Density Functional Theory
  • Thermodynamics
  • Chemical activation
  • Electrons
  • Kinetics
  21 Citations (Scopus)

  24 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • dimethylamine
  • Ammonium Compounds
  • Hydrides
  • Amines
  • Salts
  6 Citations (Scopus)

  14 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Ruthenium
  • carboxylates
  • ruthenium
  • 4-cymene
  • Chemical activation
  5 Citations (Scopus)

  8 Downloads (Pure)
• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Benzoates
  • Salts
  • Metals
  • Electrons
  11 Citations (Scopus)

  11 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Organometallics
  • Anions
  • reactivity
  • alkanes
  • anions
  4 Citations (Scopus)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Catalysts
  • Hydrides
  • Cationic polymerization
  • Polymers
  • Growth kinetics
  40 Citations (Scopus)

  26 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • phosphine
  • Alkanes
  • Anions
  • cyclooctane
  • Norbornanes
  15 Citations (Scopus)

  28 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  • Carbon Monoxide
  • Hydrides
  • Discrete Fourier transforms
  5 Citations (Scopus)
• 2017

  Computational Studies of Carboxylate-Assisted C-H Activation and Functionalization at Group 8-10 Transition Metal Centers

  Davies, D. L., Macgregor, S. A. & McMullin, C. L., 12 Jul 2017, In: Chemical Reviews. 117, 13, p. 8649-8709 61 p.

  Research output: Contribution to journal › Review article › peer-review

  • Transition metals
  • Chemical activation
  • Computational chemistry
  • Deprotonation
  • Metals
  242 Citations (Scopus)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • carbene
  • Chemical shift
  • Hydrides
  • Nuclear magnetic resonance
  • Carbon Monoxide
  10 Citations (Scopus)

  16 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Rhodium
  • rhodium
  • ketones
  • Ketones
  • Hydrogenation
  9 Citations (Scopus)

  38 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Benzene
  • Nickel
  • 1,3-butadiene
  • Butadiene
  • butane
  13 Citations (Scopus)

  51 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • phosphine
  • Mass spectrometry
  • Nuclear magnetic resonance
  • Discrete Fourier transforms
  • Catalysts
  10 Citations (Scopus)

  28 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Ruthenium
  • ruthenium
  • Chemical activation
  • activation
  • Oxygen
  5 Citations (Scopus)

  29 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • dichlorotetrakis(dimethyl sulfoxide)ruthenium II
  • Density Functional Theory
  • Catalysis
  • Temperature
  • Ligands
  16 Citations (Scopus)

  38 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Organometallics
  • Catalysis
  • Hydrocarbons
  • propylene
  • Single crystals
  20 Citations (Scopus)

  20 Downloads (Pure)
• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • trimethylantimony
  • Ligands
  • palladium chloride
  • Density Functional Theory
  • Palladium
  9 Citations (Scopus)

  46 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  10 Citations (Scopus)

  20 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  25 Citations (Scopus)

  21 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Rhodium
  • pentane
  • Alkanes
  • 1,3-pentadiene
  • Density Functional Theory
  24 Citations (Scopus)

  33 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  • Alkynes
  • Cobalt
  • Antineoplastic Agents
  • Oxidoreductases
  • Regioselectivity
  87 Citations (Scopus)

• Computational Studies of Heteroatom-Assisted C-H Activation at Ru, Rh, Ir, and Pd as a Basis for Heterocycle Synthesis and Derivatization

  Carr, K. J. T., Macgregor, S. A. & McMullin, C. L., 2016, Transition Metal-Catalyzed Heterocycle Synthesis via C-H Activation. Wu, XF. (ed.). Wiley-Blackwell, p. 1-44 44 p.

  Research output: Chapter in Book/Report/Conference proceeding › Chapter

  • Chemical activation
  • Metals
  • Substrates
  2 Citations (Scopus)

• Computational Studies on Heteroatom-Assisted C–H Activation and Functionalisation at Group 8 and 9 Metal Centres

  Carr, K., Macgregor, S. A. & McMullin, C. L., 2016, C-H Bond Activation and Catalytic Functionalization I. Dixneuf, P. H. & Doucet, H. (eds.). Springer International Publishing, p. 53-76 24 p. (Topics in Organometallic Chemistry; vol. 55).

  Research output: Chapter in Book/Report/Conference proceeding › Chapter (peer-reviewed) › peer-review

  • Alkenylation
  • Amination
  • Chemical activation
  • Metals
  6 Citations (Scopus)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • phosphine
  26 Downloads (Pure)

• Dehydrocoupling of phosphine-boranes using the [RhCp∗Me(PMe₃)(CH₂Cl₂)][BAr^F 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • phosphine
  • Chemical activation
  • X ray crystallography
  • Phosphorus
  • Labeling
  24 Citations (Scopus)

  63 Downloads (Pure)

• 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

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Borates
  • Copper
  • Ligands
  18 Citations (Scopus)

  18 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Single crystals
  • X ray crystallography
  • Spectroscopy
  • Discrete Fourier transforms
  15 Citations (Scopus)

  26 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene
  • Carbon Monoxide
  • Quantum theory
  • X rays
  • Neutrons
  10 Citations (Scopus)

  30 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • pyrrole-2-carboxaldehyde
  • Enantioselectivity
  • acids
  • Acids
  • synthesis
  13 Citations (Scopus)

  55 Downloads (Pure)

• Modelling and Rationalizing Organometallic Chemistry with Computation: Where Are We?

  Perrin, L., Carr, K., McKay, D., McMullin, C. L., Macgregor, S. A. & Eisenstein, O., 2016, Computational Studies in Organometallic Chemistry. Macgregor, S. A. & Eisenstein, O. (eds.). Springer International Publishing, p. 1-37 37 p. (Structure and Bonding; vol. 167).

  Research output: Chapter in Book/Report/Conference proceeding › Chapter

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • vinylferrocene
  • ferrocenium
  • Oxidation-Reduction
  • Cyclopentanes
  • Sulfhydryl Compounds
  4 Citations (Scopus)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Rhodium
  • Alkanes
  • Paraffins
  • Single crystals
  • Chemical activation
  21 Citations (Scopus)

  79 Downloads (Pure)

• 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

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Alkynes
  • Acetylene
  • Cyclization
  • Rhodium
  • Density Functional Theory
  27 Citations (Scopus)

  27 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Boranes
  • Rhodium
  • Amines
  • Density Functional Theory
  • Catalysis
  38 Citations (Scopus)

  28 Downloads (Pure)
• 2015

  Chirality Transfer in Gold(I)-Catalysed Direct Allylic Etherifications of Unactivated Alcohols: Experimental and Computational Study

  Barker, G., Johnson, D. G., Young, P. C., Macgregor, S. A. & Lee, A-L., 6 Aug 2015, In: Chemistry - A European Journal. 21, 39, p. 13748-13757

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Gold
  • Alcohols
  • Ethers
  • Ether
  • Protons
  16 Citations (Scopus)

  47 Downloads (Pure)

• 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.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • methyl acrylate
  • Pyrazoles
  • Rhodium
  • Alkenes
  • Styrene
  22 Citations (Scopus)

  56 Downloads (Pure)