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Instruments / Technical Area	Publication Details	Published	Actions
I19-Small Molecule Single Crystal Diffraction	Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups Peter Rought , Christopher Marsh , Simona Pili , Ian P. Silverwood , Victoria Garcia Sakai , Ming Li , Martyn Brown , Stephen P. Argent , Inigo Vitorica-Yrezabal , George Whitehead , Mark R. Warren , Sihai Yang , Martin Schroeder Chemical Science DOI: 10.1039/C8SC03022G Diamond Proposal Number(s): [13650, 12517] Open Access Show Abstract ▼ Abstract: Three multi-carboxylic acid functionalised ligands have been designed, synthesised and utilised to synthesise the new barium-based MOFs, MFM-510, -511, and -512, which show excellent stability to water-vapour. MFM-510 and MFM-511 show moderate proton conductivities (2.1 x10-5 and 5.1 x10-5 S cm-1, respectively) at 99RH% and 298 K, attributed to the lack of free protons or hindered proton diffusion within the framework structures. In contrast, MFM-512, which incorporates a pendant carboxylic acid group directed into the pore of the framework, shows a two orders of magnitude enhancement in proton conductivity (2.9 x10-3 S cm-1). Quasi-elastic neutron scattering (QENS) suggests that the proton dynamics of MFM-512 are mediated by “free diffusion inside a sphere” confirming that incorporation of free carboxylic acid groups within the pores of MOFs is an efficient albeit a synthetically challenging strategy to improve proton conductivity.	Nov 2018

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