Elizabeth Shotton


Head of Industrial Liaison 

Email: industry@diamond.ac.uk
Tel: +44 (0)1235 778797

Application of X-ray powder diffraction and small molecule crystallography to industrially relevant samples.

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Elizabeth Shotton is the Head of the Industrial Liaison Group, responsible for all proprietary use of Diamond’s facilities.  After a PhD at University College London studying solid state properties of pigments, she has worked for 25 years at synchrotrons, applying synchrotron methods to industrial research problems.  A Fellow of the Royal Society of Chemistry, her main research areas are in the application of X-ray powder diffraction and small molecule crystallography to industrially relevant samples.

In external roles, Elizabeth is a non-executive board member for Quantum Detectors, and a member of several advisory panels, including the Science Advisory Committee of the Canadian Light Source,  the Industrial Advisory Board of the School of Chemical and Process Engineering in Leeds University and the Industrial Advisory Board of the European Spallation Source.



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F. Oemry, I.B. Adilina, W.T. Cahyanto, N. Rinaldi, F. Aulia, A. Jackson, S.F. Parker, A.B. Kroner, E.J. Shotton, Experimental and Computational Studies of Sulfided NiMo Supported on Pillared Clay: Catalyst Activation and Guaiacol Adsorption Sites, Phys. Chem. Chem. Phys., 25, 2978-2989 (2023) DOI: 10.1039/D2CP03987G

P.T. Edwards, L.K Saunders, D.C. Grinter, P. Ferrer, G. Held, E.J. Shotton, S.L.M. Schroeder,  Determination of H‑Atom Positions in Organic Crystal Structures by NEXAFS Combined with Density Functional Theory: a Study of Two Component Systems Containing Isonicotinamide, J. Phys. Chem A., 126, 2889-2898, (2022), DOI: 10.1021/acs.jpca.2c00439

P.T. Edwards, L.K. Saunders, A.R. Pallipurath, A.J. Britton, E.A. Willneff, E.J. Shotton, S.L.M. Schroeder, Proton Transfer on the Edge of the Salt/Cocrystal Continuum: X-Ray Photoelectron Spectroscopy of Three Isonicotinamide Salts, Crystal Growth & Design, 21 (11), 6332-6340, (2021) DOI: 10.1021/acs.cgd.1c00807

M. Mazzorana, E.J. Shotton, D.R. Hall, A comprehensive approach to X-ray crystallography for drug discovery at a synchrotron facility — The example of Diamond Light Source. Drug Discovery Today, (2020) https://doi.org/10.1016/j.ddtec.2020.10.003

S.-Y. Chang, T.A. Kathyola, E.A. Willneff, C. Willis, P. Wilson, P.J. Dowding, G. Cibin, A.B. Kroner, E.J. Shotton, S. L. M. Schroeder, Versatile Liquid-Jet/Sessile Droplet System for Operando Studies of Reactions in Liquid Dispersions and Solutions by X-ray Absorption Spectroscopy
Reaction Chemistry & Engineering, 4, 679-687, (2019) DOI: 10.1039/C8RE00207J

L.H. Al-Madhagi, S-Y. Chang, M. Balasubramanian, A.B. Kroner, E.J. Shotton, E.A. Willneff, B. Mishra, S.L.M. Schroeder, X-ray Raman Scattering: A New in situ Probe of Molecular Structure During Nucleation and Crystallization from Liquid Solutions, Cryst Eng Comm (2018) DOI: 10.1039/c8ce009292e 

A.B. Kroner, K.M.H. Mohammed, M. Gilbert, G. Duller, L. Cahill, P. Leicester, R. Woolliscroft, E.J. Shotton, A Flexible Gas Flow Reaction Cell for in situ X-Ray Absorption Spectroscopy Studies,  AIP Conference Proceedings (2016) 1741, 030014 DOI: 10.1063/1.4952837

D.G. Brown, E.J. Shotton, Diamond: Shedding Light on Structure-Based Drug Discovery, Phil. Trans. R. Soc A (2015) 373, 20140468, DOI: 10.1098/rsta.2014.0468

E.J. Shotton, L.D. Connor, A.Dias, A.B. Kroner, C. Pizzey, T. Richter, J. Waterman, Industrial Applications at Diamond, Synchrotron Radiation News (2014) 27(3), 7-10, DOI: 10.1080/08940886.2014.908698 

E.J. Shotton, A. Dias, A.B. Kroner, C. Pizzey, J. Waterman, Diamond: Open for Business, Synchrotron Radiation News (2011) 24(6), 30-33, DOI: 10.1080/08940886.2011.634316

A. Moretto, I. Menegazzo, M. Crisma, E.J. Shotton, H. Nowell, S. Mammi, C. Toniolo, A Rigid Helical Peptide Axle for a [2]Rotaxane Molecular Machine, Angew. Chemie Int. Ed. (2009) 48, 8986-8989

E.J. MacLean, M. Tremayne, B.M. Kariuki, J.R.A. Cameron, M.A. Roberts, K.D.M. Harris, Lessons on the Assignment of Polymorphs, Highlighted by the Case of the Latent Pigment DPP-Boc, Crystal Growth & Design (2009) 9, 853-857

P.B. Chatterjee, S.M. Towsif Abtab, K. Bhattacharya, A. Endo, E.J. Shotton, S.J. Teat, M. Chaudhury, Hetero-Bimetallic Complexes Involving Vanadium(V) and Rhenium(VII) Centers, Connected by Unsupported μ-Oxo Bridge: Synthesis, Characterization and Redox Study, Inorg. Chem. (2008) 47, 8830-883

L.A. Barrios, G. Aromi, A. Frontera, D. Quinonero, P.M. Deya, P. Gamez, O. Roubeau, E.J. Shotton, S.J. Teat, Coordination Complexes Exhibiting Anion…pi Interactions: Synthesis, Structure and Theoretical Studies, Inorg. Chem. (2008) 47, 5873-5881 

Z. Pan, A. Desmedt, E.J. MacLean, F. Guillaume, K.D.M. Harris, Structural Properties of Low-Temperature Phase Transitions in the Prototypical Thiourea Inclusion Compound: Cyclohexane/Thiourea, J. Phys. Chem. C (2008) 112, 839-847

M. Crisma, C. Peggion, C. Baldini, E.J. MacLean, N. Vedovato, G. Rispoli, C. Toniolo, Crystal Structure of a Spin-Labeled, Channel-Forming Alamethicin Analogue, Angew. Chem. (2007) 46, 2047-2050

G. Aromi, P. Gamez, J. Krzystek, H. Kooijman, A.L. Spek, E.J. MacLean, S.J.  Teat, H. Nowell, Novel Linear Transition Metal Clusters of a Heptadentate Bis-a-diketone Ligand, Inorg. Chem. (2007) 46, 2519-2529

P.N. Simoes, L.M. Pedroso, A.M. Matos Beja, M, Ramos Silva, E.J. MacLean, A.A. Portugal, Crystal and Molecular Structure of 4,6-Bis(nitroimino)-1,3,5-triazinan-2-one: Theoretical and X-ray Studies, J. Phys, Chem. A (2007) 111, 150-158

O.D. Fox, J. Cookson, E.J.S. Wilkinson, M.G.B. Drew, E.J. MacLean, S.J. Teat, P.D. Beer, Nano-sized Polymetallic Resorcinarene-based Host Assemblies which Strongly Bind Fullerenes, J. Am. Chem. Soc. (2006) 128, 6990-7002

N. Henry, O. Mentre, F. Abraham, E.J. MacLean, P. Roussel, Polycationic Disorder in [Bi6O4(OH)4](NO3)6. Structure Determination using Synchrotron  Radiation and Microcrystal X-ray Diffraction, J. Solid State Chem. (2006) 179, 3087-3094

M. Quesada, M. Monrabal, G. Aromí, V.A. de la Peña-O’Shea, M. Gich, E. Molins, O. Roubeau, S.J. Teat, E.J. MacLean, P. Gamez, J. Reedijk, Spin Transition in a Triazine-Based Fe(II) Complex: Variable-Temperature Structural, Thermal, Magnetic and Spectroscopic Studies, J. Mater. Chem. (2006) 16, 2669-2676

E.J. MacLean, P.J. Rizkallah, J.R. Helliwell, Synchrotron radiation applied to pharmaceutical structural chemistry and biology research problems; current status and future landscape, European Pharmaceutical Review (2006) 71-76

A.K. Nairn, S. J. Archibald, R. Bhalla, B.C. Gilbert, E.J. MacLean, S.J. Teat, P.H. Walton, (N-Benzyl-bis-N',N''-salicylidene)-cis-1,3,5-triaminocyclohexane copper(II): a novel catalyst for the aerobic oxidation of benzyl alcohol, Dalton Trans. (2006) 172-176

A. Cooper, M. Nutley, E.J. MacLean, K. Cameron, L. Fielding, J. Mestres, R. Palin, Conformational Switches in Cyclodextrin-Rocuronium Complexes, Organic and Biomolecular Chemistry (2005), 3, 1863-1871

R. Modi, G.B. Hix, M. Tremayne, E.J. MacLean, Polymorphism in Nickel Phosphonates: Synthesis of Layered and Microporous Ni(O3PCH2C(O)NH2).H2O, New J. Chem. (2005) 29, 427-429

M.G.S. Londesborough, E.J. MacLean, S.J. Teat, M. Thornton-Pett, J.D. Kennedy, Macropolyhedral Boron-Containing Cluster Chemistry. Synchrotron X-Ray Structural Analysis of [(PMe2Ph)2Pd2B16H22(PMe2Ph)2] and [(PMe2Ph)3Pt2B16H22(PMe2Ph)]: Models of Intermediates to More Condensed Metallaboranes from the [(PMePh)2PtB8H12 Thermolysis System, Chem. Commun. (2005) 1584-1586

D.E. Turkington, E.J. MacLean, A.J. Lough, G. Ferguson, C. Glidewell, Supramolecular Structures of 1-Phenyethylammonium Tartrates, Acta Cryst. B (2005) 61, 103-114

G. Aromi, J. Ribas, P. Gamez, O. Roubeau, H. Kooijman, A.L. Spek, S.J. Teat, E.J. MacLean, H. Stoeckli-Evans, J. Reedijk, Aggregation of [CuII4] Building Blocks into [CuII8] Clusters or a [CuII4] Chain through Subtle Chemical Control, Chem. Eur. J. (2004) 10, 6476-6488

P.J. Blower, J.C. Jeffrey, E.J. MacLean, V.T. Pinkrah, F.E. Sowery, S.J. Teat, M.J. Went, Synthesis and Co-ordination Chemistry of a Diphospha-tetrathia Macrocycle, 1,10-Diphenyl-1,10-diphospha-4,7,13,16-tetrathia-cyclooctadecane, Inorg. Chim. Acta (2004) 357, 4129-4138

D. Yu. Puscharovsky, N.V. Zubkova, S.J. Teat, E.J. MacLean, H. Sarp, Crystal Sructure of Mahnertite, Eur. J. Miner. (2004) 16, 687-692

N.V.Zubkova, D.Yu.Pushcharovsky, H. Sarp, S.J. Teat, E.J. MacLean, Crystal Structure of Zdenekite, NaPbCu5(AsO4)4Cl5H2O, Cryst. Reports (2003) 48, 939-943

E.J. MacLean, C.M. McGrath, C.J. O’Connor, C. Sangregorio, J.M.W. Seddon, E. Sinn, F.E. Sowrey, S.J. Teat, A.E. Terry, G.B. Vaughan, N.A. Young, The Structure of the Photo-Induced Meta-Stable High Spin State of Fe(phen)2(NCSe)2
at 10 K Using Synchrotron Radiation Single Crystal X-ray Diffraction, Chem. Eur. J. (2003) 9, 5314-5322

E.J. MacLean, K.D.M. Harris, B.M. Kariuki, S.J. Kitchin, R.R. Tykwinski, I.P. Swainson, J.D. Dunitz, Ammonium Cyanate Shows N-H…N Hydrogen Bonding, Not N-H…O, J. Am. Chem. Soc. (2003) 125, 14449-14451

M. Wang, A. Mar, E.J. MacLean, Structure Determination of Niobium Palladium
Arsenide, Nb5Pd4As4, from a 5 x 5 x 5 mm3 Crystal with Synchrotron Radiation, J. Solid State Chem. (2003) 172, 232-236

A. Turner, P.A. Jaffres, E.J. MacLean, D. Villemin, V. McKee, G.B. Hix, Hydrothermal Synthesis and Crystal Structure of Two Co Phosphonates Containing Trifunctional Phosphonate Anions: Co3(O3PCH2NH2CH2PO3)2 and Co3(O3PCH2-NC4H7-CO2)2.5H2O, J. Chem. Soc., Dalton Trans. (2003) 1314-1319

H. Sarp, D.Y. Puscharovsky, E.J. MacLean, S.J. Teat, N.V. Zubkova, Tllmannsite, (Ag3Hg)(V,As)O4, a New Mineral: Its Description and Crystal Sructure, Eur. J. Miner. (2003) 15, 177-180

M.R.J. Elsegood, K.E. Holmes, P.F. Kelly, E.J. MacLean, J. Parr, J.M. Stonehouse, Preparation of the First Complexes of Bidentate Sulfimides; The X-ray Crystal Structure of [PdBr2{1,4-(PhS{NH})2C6H4}]2, [PdCl2{1,2-(PhS{NH})(PhS)C6H4}] and trans-[PdCl2{1,2-(Ph2{NH})(PhS)C6H4}PPh3], Eur. J. Inorg. Chem. (2003) 120-127

G.B. Hix, A. Turner, B.M. Kariuki, M. Tremayne, E.J. MacLean, Strategies for the Synthesis of Porous Metal Phosphonate Materials, J. Mater. Chem. (2002) 12, 3220-3227

F.E. Sowery, P.J. Blower, J.C. Jeffrey, E.J. MacLean, M.J. Went, The Effect of Substitution of a Thioether Donor by a Phosphine Donor in Thiacrown Complexes of Iron, Inorg. Chem. Commun. (2002) 5, 832-836

E.J. MacLean, R.I. Robinson, S.J. Teat, C. Wilson, S. Woodward, Transformation of Sulfur Dioxide to Sulfate at a Palladium Centre, J. Chem. Soc., Dalton Trans. (2002) 3518-3524

C.J.H. Morton, R. Gilmour, D.M. Smith, P. Lightfoot, A.M.Z. Slawin, E.J. MacLean, Synthetic Studies Related to Diketopyrrolopyrrole (DPP) Pigments. Part 1: The Search for Alkenyl-DPPs. Unsaturated Nitriles in Standard DPP Syntheses: A Novel Cyclopenta[c]pyrrolone Chromophore, Tetrahedron (2002) 58, 5547-5565

E.J. MacLean, S.J. Teat, D.M.M. Farrell, G. Ferguson, C. Glidewell, The Salt-Type 1:2 Adduct of meso-5,5,7,12,12,14-Hexa-C-methyl-1,4,8,11-tetraazacyclotetradecane (Tet-a) and 5-Nitroisophthalic Acid Forms a Hydrogen-Bonded Sheet Structure Containing Two Configurational Isomers of [{(Tet-a)H2}2+], Acta Cryst. C (2002) 58, o470-o473

E.J. MacLean, J.N. Low, A. Quesada, M. Melguizo, C. Glidewell, 4-(Allylamino)-2-amino-6-benyloxy-5-nitrosopyrimidine from Synchrotron Data at 150 K: Double
Chains Built from N-H…N, H-H…O, C-H…p (Arene) and Aromatic pi…pi Stacking Interactions, Acta Cryst. C (2002) 58, o442-o444

X. Xu, E.J. MacLean, S.J. Teat, M. Nieuwenhuyzen, M. Chambers, S.L. James, Labile Cage-Core Co-ordination Dendrimers, Chem. Commun. (2002) 78-79

A. Bom, M. Bradley, K. Cameron, J.K. Clark, J. van Egmond, H. Feilden, E.J. MacLean, A.W. Muir, R. Palin, D.C. Rees, M.-Q. Zhang, A Novel Concept of Reversing Neuromuscular Block: Chemical Encapsulation of Rocuronium Bromide by a Cyclodextrin-Based Synthetic Host, Angew. Chemie, Intl. Ed. Engl. (2002) 41, 265-270

E. Pantos, C.C. Tang, E.J. MacLean, M.A. Roberts, B.M. Murphy, S.P. Collins, K.C. Cheung, R.W. Strange, L.M. Murphy, M.Z. Papiz, S.E. Girdwood, P. Rizkallah, D.T. Clarke, G.F. Clark, M.J. Tobin, S.L. Colston, A.C. Jupe, M.G. Zhilin, K. Prag, A.J.N.W. Prag, Applications of Synchrotron Radiation to Archaeological Ceramics, Modern Trends in Scientific Studies on Ancient Ceramics, BAR International Series (2002) 1011, 377-383

D.G. Morris, S. Walker, K.W. Muir, G.B. Hix, K.S. Ryder, E.J. MacLean, Unusual Synthesis and Crystal Structure of 4-Tricyclanol, Tet. Lett. (2001) 42, 319-322

W.T.A. Harrison, M.L.F. Phillips, T.M. Nenoff, E.J. MacLean, S.J. Teat, R.S. Maxwell, (CN3H6)2.Zn(CO3)2, the First Organically Templated Open-Framework Carbonate, J. Chem. Soc., Dalton Trans. (2001) 546-549

M. Tremayne, E.J. MacLean, C. Glidewell, Structure Solution of Hydrogen Bonded Molecular Solids from Powder Diffraction Data, Mol. Cryst. Liq. Cryst. (2001) 356, 215-226

C.C. Tang, E.J. MacLean, M.A. Roberts, D.T. Clarke, E. Pantos, A.J.N.W. Prag, The Study of Attic Black Gloss Potsherds using Synchrotron X-Ray Diffraction, J. Arch. Sci. (2001) 28, 1015-1024

E.J. MacLean, H.F.F. Millington, A.A. Neild, C.C. Tang, A Versatile Diffraction Instrument on Station 2.3 of the Daresbury Laboratory, Mater. Sci. Forum (2000) 321-324, 212-217

C.G.H. Walker, S.A. Morton, J.M. Charnock, E.J. MacLean, N.M.D. Brown, Multi-Technique Study of Titanium Nitride Films Deposited via Reactive Sputter Deposition, Mater. Sci. Forum. (2000) 325-326, 131-140

K.D. Rogers, M.W. Sperrin, E.J. MacLean, A Synchrotron Study of Bladder Urolith Architecture, Powder Diffraction (2000) 15, 94-100

E.J. MacLean, M. Tremayne, B.M. Kariuki, K.D.M. Harris, A.F.M. Iqbal, Z. Hao, Structural Understanding of a Polymorphic System by Structure Solution and Refinement from Powder Diffraction Data: The a and b Phases of the Latent Pigment DPP-Boc, J. Chem. Soc., Perkin Trans. 2 (2000) 1513-1520

N. Robertson, S. Parsons, E.J. MacLean, R. Coxall, A.R. Mount, Preparation, X-Ray Structure and Properties of a Hexabrominated, Symmetric Indole Trimer and its TCNQ Adduct: A New Route to Functional Molecular Systems, J. Mater. Chem. (2000) 10, 2043-2047

J.F. Bickley, R.P. Bonar-Law, C. Femoni, E.J. MacLean, A. Steiner, S.J. Teat, Dirhodium (II) Carboxylate Complexes as Building Blocks. Synthesis and Structures of Square Boxes with Tilted Walls, J. Chem. Soc., Dalton Trans. (2000) 4025-4027

C.C. Tang, E.J. MacLean, N.D. Telling, Reflectivity and Diffraction Study of Co/Cu Multilayer Using Synchrotron X-rays, J. Magn. Magn. Mater. (1999) 198-199, 653-655

H. Serrano-González, K.D.M. Harris, C.C. Wilson, A.E. Aliev, S.J. Kitchin, B.M. Kariuki, M. Bach-Vergés, C. Glidewell, E.J. MacLean, W.W. Kagunya, Unravelling the Disordered Hydrogen Bonding Arrangement in Solid Triphenylmethanol, J. Phys. Chem. B (1999) 103, 6215-6223

S.S. Turner, P. Day, K.M.A. Malik, M.B. Hursthouse, S.J. Teat, E.J. MacLean, L. Martin, S. French, Effect of Included Solvent Molecules on the Physical Properties of the Paramagnetic Charge Transfer Salts beta''-(bedt-ttf)4[(H3O)Fe(C2O4)3].solvent (bedt-ttf = bis(ethylene-dithio)tetrathiofulvalene), Inorg. Chem. (1999) 38, 3543-3549

M. Tremayne, E.J. MacLean, C.C. Tang, C. Glidewell, 2,4,6-Tri-isopropylbenzensulfonamide: Monte Carlo Structure Solution from X-ray Powder Diffraction Data for a Molecular System Containing Four Independent Asymmetric Rotors, Acta Cryst. B (1999) 55, 1068-1074

E.J. MacLean, P.S. Wheatley, G. Ferguson, C. Glidewell, A.J. Lough, A Three-Dimensional Hydrogen-Bonded Framework in Piperazine 3,4-Dihydroxy-3-butenedione Water (1/1/2), Acta Cryst. C (1999) 55, 1896-1899

E.J. MacLean, P.S. Wheatley, G. Ferguson, C. Glidewell, Self-templating of Large Rings by Small Rings in 4,4'-Bipyridyl 3,4-Dihydroxy-3-cyclo-butenedione (2/3), Acta Cryst. C (1999) 55, 1892-1896

E.J. MacLean, C. Glidewell, G. Ferguson, R.M. Gregson, A.J. Lough, Hexamethylenetetramine is a Four-fold Acceptor of N-H…O Hydrogen Bonds in its 1:2 Adduct with2,2'-Biphenol, Acta Cryst. C, (1999) 55, 1867-1870

R.S. Lowther-Harris, P.W. Haycock, C.C. Tang, E.J. MacLean, Structural Studies on Ion Implanted Optical Waveguides in LiNbO3, Radiation Effects and Defects in Solids (1999) 150, 311-314

A.E. Aliev, E.J. MacLean, K.D.M. Harris, B.M. Kariuki, C. Glidewell, Dynamics of the Hydrogen-Bonding Arrangement in Solid Triphenylmethanol: An Investigation by Solid State 2H NMR Spectroscopy, J. Phys. Chem. B (1998) 102, 2165-2175

J.D. Dunitz, K.D.M. Harris, R.L. Johnston, B.M. Kariuki, E.J. MacLean, K. Psallidas, W.B. Schweizer, R.R. Tykwinski, New Light on an Old Story: The Solid-State Transformation of Ammonium Cyanate into Urea, J. Am. Chem. Soc. (1998) 120, 13274-13275

I.J. Shannon, K.D.M. Harris, F. Guillaume, E.H. Bocanegra, E.J. MacLean, Phase Transitions Involving Re-Ordering of the Guest Molecules in a Solid Organic Inclusion Compound: Heptanoic Anhydride-Urea, J. Chem. Soc., Chem. Commun. (1995) 2341-2342

E.J. MacLean, K.D.M. Harris, S.L. Price, Structure and Dynamic Properties of Hydrogen Bonding in a Tetrahedral Arrangement of Methanol Molecules. A Theoretical Investigation, Chem. Phys. Lett. (1994) 225, 273-279

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