Structural studies of metal-organic frameworks under high pressure.
- Scott C. McKellar, S. Moggach
- Materials ScienceActa Crystallographica. Section B: Structural…
- 1 December 2015
The structural effects of both non-porous and porous MOFs are looked at, and their mechanical and chemical response to elevated pressures are discussed.
Ag(I) bipyridyl coordination polymers containing functional anions
- Christopher A. Dodds, C. L. Hobday, A. Kennedy, Scott C. McKellar, Katy Smillie, A. Walls
- Materials Science
- 13 February 2017
The single crystal diffraction structures of seven coordination polymers formed by Ag(I) and bipyridyl azine ligands are described and compared. All contain organic anions derived from intrinsically…
Polymer templating of supercooled indomethacin for polymorph selection.
- Scott C. McKellar, A. Urquhart, D. Lamprou, A. Florence
- Materials ScienceACS Combinatorial Science
- 24 February 2012
The polymorph-directing effect of homopolymer surfaces in the absence of solvent by recrystallization from the supercooled melt is demonstrated.
Stabilization of scandium terephthalate MOFs against reversible amorphization and structural phase transition by guest uptake at extreme pressure.
- A. Graham, A. Banu, S. Moggach
- Materials ScienceJournal of the American Chemical Society
- 4 June 2014
This study demonstrates a novel high-pressure approach to study adsorption within a porous framework as a function of increasing guest content, and so to determine the most energetically favorable adsorptive sites.
Formulation of liquid propofol as a cocrystalline solid
- Scott C. McKellar, A. Kennedy, Neil C. McCloy, E. McBride, A. Florence
- Materials Science
- 27 February 2014
This work details a crystal engineering strategy to obtain a novel solid form of the liquid drug molecule propofol using isonicotinamide as a cocrystal former. Knowledge of intermolecular hydrogen…
The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.
- Scott C. McKellar, A. Graham, D. Allan, M. Mohideen, R. Morris, S. Moggach
- 27 March 2014
It is demonstrated that post-synthetic ligand exchange is very sensitive to both the molecular size and functionality of the exchanged ligand, and the ability to force hydrophilic molecules into hydrophobic pores using high pressures which results in a pressure-induced chemical decomposition of the Cu-framework.
Pore Shape Modification of a Microporous Metal–Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
- Scott C. McKellar, Jorge Sotelo, S. Moggach
- Materials Science
- 11 January 2016
Pressures up to 0.8 GPa have been used to squeeze a range of sterically “oversized” C5–C8 alkane guest molecules into the cavities of a small-pore Sc-based metal–organic framework. Guest inclusion…
Guest-mediated phase transitions in a flexible pillared-layered metal–organic framework under high-pressure
- Gemma F. Turner, Scott C. McKellar, D. Allan, A. Cheetham, Sebastian Henke, S. Moggach
- Materials ScienceChemical Science
- 7 September 2021
The large influence of guest molecules on the high-pressure phase behavior of flexible MOFs is demonstrated, which is useful for engineering MOFs with bespoke pore shapes and compressibility.
Hidden negative linear compressibility in lithium l-tartrate.
- H. Yeung, Rebecca Kilmurray, S. Moggach
- PhysicsPhysical Chemistry, Chemical Physics - PCCP
- 1 February 2017
Analysis of the changes in crystal structure using variable-pressure synchrotron X-ray diffraction reveals new chemical and geometrical design rules to assist the discovery of other materials with exciting hidden anomalous mechanical properties.
A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).
- G. Craig, C. H. Woodall, M. Murrie
- Geology, Materials ScienceDalton Transactions
- 21 October 2015
The crystal structure and magnetic properties of the compound Na5[Mn(l-tart)2]·12H2O (1, l- tart = l-Tartrate) have been investigated over the pressure range 0.34-3.49 GPa, finding that 1 is relatively incompressible, helping it to retain its magnetic anisotropy under pressure.