Endohedral clusters
1. Structure and bonding in endohedral transition metal clusters
X. Jin and J. E. McGrady, Adv. Inorg. Chem., 2019, 73, 265.
2. Quantum chemical models for the absorption of endohedral clusters on Si(111)-(7 x 7): a subtle balance between W-Si and Si-Si bonding
X. Jin, V. Arcisauskaite and J. E. McGrady, Phys. Chem. Chem. Phys., 2019, 21, 1368.
3. The structural landscape in 14-vertex clusters of silicon, M@Si14: when two bonding paradigms collide
X. Jin, V. Arcisauskaite and J. E. McGrady, Dalton Trans., 2017, 46, 11366.
4. Biradical character in the ground state of [Mn@Si12]+: a DFT and CASPT2 study
V. Arcisauskaite, D. Fijan, M. Spivak, C. deGraaf and J. E. McGrady, Physical Chemistry Chemical Physics, 2016, 18, 24006-24014
5. The structural landscape in 14-vertex clusters of silicon, M@Si14: when two bonding paradigms collide
X. Jin, V. Arcisauskaite and J. E. McGrady Dalton Trans., 2017, 46, 11636-11644.
6. On the structural landscape in endohedral silicon and germanium clusters, M@Si12 and M@Ge12
J. M. Goicoechea and J. E. McGrady, Dalton Trans., 2015, 44, 6755-6766.
7. Structural trends in ten-vertex endohedral clusters, M@E10 and the synthesis of a new member of the family, [FeSn10]3-
T. Kraemer, J. C. A. Duckworth, M. D. Ingram, B. Zhou, J. E. McGrady and J. M. Goicoechea, Jose M., Dalton Trans., 2013, 42, 12120-12129.
Zintl Ions
8. A family of lead clusters with precious metal cores
C.C. Shu, H.W.T. Morgan, L. Qiao, J. E. McGrady and Z.-M. Sun, Nature Comm., 2020, in press. DOI : 10.1038/s41467-020-17187-4
9. Structure and Bonding in [Sb@In8Sb12]3- and [Sb@In8Sb12]5-
C. Liu, N. V. Tkachenko, I. A. Popov, N. Fedik, X. Min, C.Q. Xu, L.-J. Li, J. E. McGrady, A. J. Boldyrev and Z. -M. Sun, Angew. Chem. Int. Ed., Engl., 2019, 58, 8367.
10. Synthesis and structure of a family of rhodium polystannide clusters [Rh@Sn10]3-, [Rh@Sn12]3-, [Rh2@Sn17]6- and the first triply-fused stannide, [Rh3@Sn24]5-
C. Liu, X. Jin, L. -J. Li, J. Xu, J. E. McGrady and Z. -M. Sun, Chem. Sci., 2019, 10, 4394.
11. Synthesis and Characterization of [Ru@Ge12]3-: An Endohedral 3-Connected Cluster
G. Espinoza-Quintero, J. C. A. Duckworth, W. K. Myers, J. E. McGrady, and J. M. Goicoechea, J. Am. Chem. Soc., 2014, 136, 1210-1213.
Low-valent oxides
12. Pressure-Induced Transitions in the 1-Dimensional Vanadium Oxyhydrides Sr2VO3H and Sr3V2O5H2, and Comparison to 2-Dimensional SrVO2H, T. Yamamoto, H.W.T. Morgan, D. Zeng, T. Kawakami, M. Amano-Patino, M.A. Hayward, H. Kageyama and J.E. McGrady, Inorg. Chem., 2019, 58, 15393.
13. LaSr3NiRuO4H4: A 4d Transition-Metal Oxide-Hydride Containing Metal Hydride Sheets
L. Jin, M. Lane, D. Zeng, Dihao; F. K. K. Kirschner, F. Lang, P. Manuel, S. J. Blundell, J. E. McGrady and M. A. Hayward, Angew. Chem., Int. Ed., 2018, 57, 5025-5028.
14. The role of π-blocking hydride ligands in a pressure-induced insulator-to-metal phase transition in SrVO2H
T. Yamamoto, D. Zeng, Kawakami, V. Arcisauskaite, K. Yata, M. A. Patino, N. Izumo, J. E. McGrady, H. Kageyama, and M. A. Hayward, Nature Comm., 2017, 8, 1-7
15. SrFe0.5Ru0.5O2: Square-Planar Ru2+ in an Extended Oxide
F. Denis Romero, S. J. Burr, J. E. McGrady, D. Gianolio, G. Cibin and M.A. Hayward, J. Am. Chem. Soc., 2013, 135, 1838-1844.
Metal-metal bonds
16. Introduction and general survey of metal-metal bonds
McGrady, John E., Molecular Metal-Metal Bonds (2015), 1-22.
17. Redox-Dependent Metal-Metal Bonding in Trinuclear Metal Chains: Probing the Transition from Covalent Bonding to Exchange Coupling
M. Obies, N. R. Perkins, V. Arcisauskaite, G. A. Heath, A. J. Edwards and J. E. McGrady, Chem. Eur. J., 2018, 24, 5309-5318.
18. A multiconfigurational approach to the electronic structure of trichromium extended metal atom chains
M. Spivak, V. Arcisauskaite, X. Lopez, J. E. McGrady and C. de Graaf, C., Dalton Trans., 2017, 46, 6202-6211.
19. A Redox-Induced Spin-State Cascade in a Mixed-Valent Fe3(μ3-O) Triangle
E. V. Govor, K. Al-Ameed, I. Chakraborty, C. S. Coste, O. Govor, Y. Sanakis, J. E. McGrady and R. G. Raptis, Angew. Chem., Int. Ed., 2017, 56, 582-586
Mechanistic Organometallic and Main-group Chemistry
20. Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center
M. J. Harper, C. J. Arthur, J. Crosby, E. J. Emmett, R. L. Falconer, A. J. Fensham-Smith, P. J. Gates, T. Leman, J. E. McGrady, J. F. Bower and C. A. Russell, J. Am. Chem. Soc., 2018, 140, 4440-4445.
21. Hydrofunctionalisation of an Aromatic Triphosphabenzene
R. L. Falconer, D. Zeng, M. Green, D. W. Stephan, J. E. McGrady and C. A. Russell, Chem. Eur. J., 2019, 25, 13686.
22. Hydrogen Activation by an Aromatic Triphosphabenzene
L. E. Longobardi, C. A. Russell, M. Green, N. S. Townsend, K. Wang, A. J. Holmes, S. B. Duckett, J.E. McGrady, D. W. Stephan, J. Am. Chem. Soc., 2014, 136, 13453.
23. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene,
D. W. N. Wilson, M. P. Franco, W. K. Myers, J. E. McGrady and J. M. Goicoechea, Chem. Sci., 2020, 11, 862.
24. How formaldehyde inhibits hydrogen evolution by [FeFe]-hydrogenases: Determination by 13C ENDOR of direct Fe-C coordination and order of electron and proton transfers
A. Bachmeier, J. Esselborn, S. Hexter, Suzannah, T. Kramer, K. Klein, T. Happe, J. E. McGrady, W.K. Myers and F. A. Armstrong, J. Am. Chem. Soc., 2015, 137, 5381-5389
Electron transport
25. Can heterometallic 1-dimensional chains support current rectification?
D. DeBrincat, O. Keers and J. E. McGrady, Chem. Comm., 2013, 49, 9116-9118.
26. Low-symmetry distortions in Extended Metal Atom Chains (EMACs): Origins and consequences for electron transport
V. P. Georgiev, P. J. Mohan, D. DeBrincat and J. E. McGrady, Coord. Chem. Rev, 2013, 257, 290-298.
Redox non-innocent ligands
27. Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes P. Ghosh, S. Samanta, S. K. Roy, S. Joy, T. Kramer, J. E. McGrady and S. Goswami, Inorg. Chem. 2013, 52, 14040-14049.
28. A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding
M. Irwin, L. R. Doyle, T. Kramer, Tobias; R. Herchel, J. E. McGrady and J. M. Goicoechea, Inorg. Chem., 2012, 51, 12301-12312.