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dc.contributor.authorBumstead, Alice
dc.contributor.authorCordes, David B.
dc.contributor.authorDawson, Daniel M.
dc.contributor.authorChakarova, Kristina K.
dc.contributor.authorMihaylov, Mihail Y.
dc.contributor.authorHobday, Claire L.
dc.contributor.authorDüren, Tina
dc.contributor.authorHadjiivanov, Konstantin
dc.contributor.authorSlawin, Alexandra M. Z.
dc.contributor.authorAshbrook, Sharon E.
dc.contributor.authorPrasad, Ram R. R.
dc.contributor.authorWright, Paul A.
dc.identifier.citationBumstead , A , Cordes , D B , Dawson , D M , Chakarova , K K , Mihaylov , M Y , Hobday , C L , Düren , T , Hadjiivanov , K , Slawin , A M Z , Ashbrook , S E , Prasad , R R R & Wright , P A 2018 , ' Modulator-controlled synthesis of microporous STA-26, an interpenetrated 8,3-connected zirconium MOF with the the-i topology, and its reversible lattice shift ' , Chemistry - A European Journal , vol. Early View .
dc.identifier.otherPURE: 252135834
dc.identifier.otherPURE UUID: 5014dc76-7bc3-4b04-9bb1-fcc0d1ffcb6c
dc.identifier.otherScopus: 85044248988
dc.identifier.otherORCID: /0000-0002-5366-9168/work/43149751
dc.identifier.otherORCID: /0000-0002-8724-6358/work/46362251
dc.identifier.otherORCID: /0000-0002-4538-6782/work/56638894
dc.identifier.otherORCID: /0000-0002-9527-6418/work/56861308
dc.identifier.otherORCID: /0000-0002-8110-4535/work/59464825
dc.identifier.otherWOS: 000430465100019
dc.identifier.otherORCID: /0000-0002-4243-9957/work/62668237
dc.descriptionThe authors acknowledge the support of the EPSRC/St Andrews Criticat CDT (RRRP, PAW) and the European Community Seventh Framework Program (FP7/2007-2013) number 608490 (project M4CO2) (KKC, MYM, KIH, PAW). SEA would like to thank the Royal Society and Wolfson Foundation for a merit award. This research made use of the Balena High Performance Computing (HPC) Service at the University of Bath. The research data (and/or materials) supporting this publication can be accessed at DOI:
dc.description.abstractA fully interpenetrated 8,3-connected zirconium MOF with the the-i topology type, STA-26 (St Andrews porous material-26), has been prepared using the 4,4',4"-(2,4,6-trimethylbenzene-1,3,5-triyl)tribenzoate (TMTB) tritopic linker with formic acid as a modulating agent. In the as-prepared form STA-26 possesses Im-3m symmetry compared with the Pm-3m symmetry of the non-interpenetrated analogue, NU-1200, prepared using benzoic acid as a modulator. Upon removal of residual solvent there is a shift between the interpenetrating lattices and a resultant symmetry change to Cmcm which is fully reversible. This is observed by X-ray diffraction and 13C MAS NMR is also found to be remarkably sensitive to the structural transition. Furthermore, heating STA-26(Zr) in vacuum dehydroxylates the Zr6 nodes leaving coordinatively unsaturated Zr4+ sites, as shown by IR spectroscopy using CO and CD3CN as probe molecules. Nitrogen adsorption at 77 K together with grand canonical Monte Carlo simulations confirms a microporous, fully interpenetrated, structure with pore volume 0.53 cm3 g−1 while CO2 adsorption at 196 K reaches 300 cm3 STP g−1 at 1 bar. While the pore volume is smaller than that of its non-interpenetrated mesoporous analogue, interpenetration makes the structure more stable to moisture adsorption and introduces shape selectivity in adsorption.
dc.relation.ispartofChemistry - A European Journalen
dc.rights© 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. This work has been made available online in accordance with the publisher’s policies. This is the author created accepted version manuscript following peer review and as such may differ slightly from the final published version. The final published version of this work is available at
dc.subjectMicroporous zirconium MOFen
dc.subjectLattice interpenetrationen
dc.subjectReversible lattice shiften
dc.subjectQD Chemistryen
dc.titleModulator-controlled synthesis of microporous STA-26, an interpenetrated 8,3-connected zirconium MOF with the the-i topology, and its reversible lattice shiften
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.description.statusPeer revieweden

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