All Stories

  1. Hydrolytic stability in hemilabile metal–organic frameworks

    Article • Nature Chemistry, August 2018, Springer Science + Business Media

    Dr David McKay

  2. Polymorphism, Weak Interactions and Phase Transitions in Chalcogen-Phosphorus Heterocycles

    Article • Chemistry - A European Journal, June 2018, Wiley

    Dr David McKay

  3. 17O solid-state NMR spectroscopy of A2B2O7oxides: quantitative isotopic enrichment and spectral acquisition?

    Article • RSC Advances, January 2018, Royal Society of Chemistry

    Dr David McKay

  4. Cost-effective 17O enrichment and NMR spectroscopy of mixed-metal terephthalate metal–organic frameworks

    Article • Chemical Science, January 2018, Royal Society of Chemistry

    Dr David McKay

  5. Solid-State NMR Spectroscopy Proves the Presence of Penta-coordinated Sc Sites in MIL-100(Sc)

    Article • Chemistry - A European Journal, May 2017, Wiley

    Dr David McKay

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

    Article • Angewandte Chemie International Edition, January 2017, Wiley

    Dr David McKay

  7. Phase Composition and Disorder in La 2 (Sn,Ti) 2 O 7 Ceramics: New Insights from NMR Crystallography

    Article • The Journal of Physical Chemistry C, September 2016, American Chemical Society (ACS)

    Dr David McKay

  8. Investigating Unusual Homonuclear Intermolecular “Through-Space” J Couplings in Organochalcogen Systems

    Article • Inorganic Chemistry, July 2016, American Chemical Society (ACS)

    Dr David McKay

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

    Article • Organometallics, May 2016, American Chemical Society (ACS)

    Dr David McKay

  10. Combining solid-state NMR spectroscopy with first-principles calculations – a guide to NMR crystallography

    Article • Chemical Communications, January 2016, Royal Society of Chemistry

    Dr David McKay

  11. Hunting for hydrogen: random structure searching and prediction of NMR parameters of hydrous wadsleyite

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr David McKay

  12. Exceedingly Facile PhX Activation (X=Cl, Br, I) with Ruthenium(II): Arresting Kinetics, Autocatalysis, and Mechanisms

    Article • Angewandte Chemie International Edition, June 2015, Wiley

    Dr David McKay

  13. 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

    Article • ACS Catalysis, February 2015, American Chemical Society (ACS)

    Dr David McKay

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

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Mr Cesar Palmero, Dr David McKay

  15. Isomerisation of nido-[C2B10H12]2− dianions: unprecedented rearrangements and new structural motifs in carborane cluster chemistry

    Article • Chemical Science, January 2015, Royal Society of Chemistry

    Dr David McKay

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

    Article • January 2015, Springer Science + Business Media

    Dr David McKay

  17. Theoretical treatment of one electron redox transformation of a small molecule using f-element complexes

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Dr Lionel PERRIN, Dr David McKay

  18. Computational study of the hydrodefluorination of fluoroarenes at [Ru(NHC)(PR3)2(CO)(H)2]: predicted scope and regioselectivities

    Article • Dalton Transactions, January 2013, Royal Society of Chemistry

    Dr David McKay

  19. Spontaneous reduction and C–H borylation of arenes mediated by uranium(III) disproportionation

    Article • Nature Chemistry, July 2012, Springer Science + Business Media

    Dr Stephen M Mansell, Dr David McKay, Polly Arnold

  20. Interplay between Cationic and Neutral Species in the Rhodium-Catalyzed Hydroaminomethylation Reaction

    Article • Chemistry - A European Journal, April 2012, Wiley

    Dr David McKay

  21. Computational insight into the reductive oligomerisation of CO at uranium(iii) mixed-sandwich complexes

    Article • Chemical Communications, January 2012, Royal Society of Chemistry

    Dr David McKay

  22. Interception of a Rh(I)–Rh(III) dinuclear trihydride complex revealing the dihydrogen activation by [Rh(CO)2{(R,R)-Ph–BPE}]

    Article • Dalton Transactions, January 2012, Royal Society of Chemistry

    Dr David McKay

  23. Untethered 4,1,2-MC2B10 supraicosahedral metallacarboranes, their C,C′-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC2B10 analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C2B11 carboranes and MC2B10 metallacarboranes

    Article • Dalton Transactions, January 2012, Royal Society of Chemistry

    Dr David McKay

  24. [Ir(PCy3)2(H)2(H2BNMe2)]+ as a Latent Source of Aminoborane: Probing the Role of Metal in the Dehydrocoupling of H3B⋅NMe2H and Retrodimerisation of [H2BNMe2]2

    Article • Chemistry - A European Journal, February 2011, Wiley

    Dr David McKay

  25. New chemistry of 1,2-closo-P2B10H10 and 1,2-closo-As2B10H10; in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes

    Article • Dalton Transactions, January 2011, Royal Society of Chemistry

    Dr David McKay

  26. Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups

    Article • Dalton Transactions, January 2011, Royal Society of Chemistry

    Dr David McKay

  27. Room-Temperature CC Bond Cleavage of an Arene by a Metallacarborane

    Article • Angewandte Chemie International Edition, June 2010, Wiley

    Dr David McKay

  28. Supraicosahedral indenyl cobaltacarboranes

    Article • Dalton Transactions, January 2010, Royal Society of Chemistry

    Dr David McKay

  29. Synthetic, structural and computational studies on adducts of the 4,1,2-SnC2B10 supraicosahedral stannacarborane

    Article • Dalton Transactions, January 2010, Royal Society of Chemistry

    Dr David McKay

  30. Adducts of the supraicosahedral stannacarborane 1,6-Me2-4,1,6-closo-SnC2B10H10; synthetic, structural and computational studies

    Article • Dalton Transactions, January 2009, Royal Society of Chemistry

    Dr David McKay

  31. Unprecedented steric deformation of ortho-carborane

    Article • Chemical Communications, January 2008, Royal Society of Chemistry

    Dr David McKay