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dc.contributor.authorDawson, Daniel M.
dc.contributor.authorSansome, Charlotte E. F.
dc.contributor.authorMcHugh, Lauren N.
dc.contributor.authorMcPherson, Matthew J.
dc.contributor.authorMcCormick McPherson, Laura J.
dc.contributor.authorMorris, Russell E.
dc.contributor.authorAshbrook, Sharon E.
dc.date.accessioned2020-11-14T00:38:44Z
dc.date.available2020-11-14T00:38:44Z
dc.date.issued2019-05-14
dc.identifier258577539
dc.identifierd9b91cc8-0f96-4946-8d09-9448f1c266ef
dc.identifier85065703287
dc.identifier000472018500006
dc.identifier.citationDawson , D M , Sansome , C E F , McHugh , L N , McPherson , M J , McCormick McPherson , L J , Morris , R E & Ashbrook , S E 2019 , ' 13 C pNMR of “crumple zone” Cu(II) isophthalate metal-organic frameworks ' , Solid State Nuclear Magnetic Resonance , vol. In press . https://doi.org/10.1016/j.ssnmr.2019.05.005en
dc.identifier.issn0926-2040
dc.identifier.otherORCID: /0000-0002-4538-6782/work/57568185
dc.identifier.otherORCID: /0000-0002-8110-4535/work/59464840
dc.identifier.otherORCID: /0000-0001-7809-0315/work/61622129
dc.identifier.urihttps://hdl.handle.net/10023/20978
dc.descriptionSEA thanks the Royal Society and Wolfson Foundation for a merit award. REM and LNM thank the EPSRC for support (EP/N50936X/1).en
dc.description.abstractNMR spectroscopy of paramagnetic materials (pNMR) has the potential to provide great structural insight, but many challenges remain in interpreting the spectra in detail. This work presents a study of a series of structurally analogous metal-organic frameworks (MOFs) based on 5-substituted isophthalate linkers and Cu(II) paddlewheel dimers, of interest owing to their “crumple zone” structural rearrangement on dehydration/rehydration. 13C MAS NMR spectra of the MOFs reveal a wide variation in the observed resonance position for chemically similar C species in the different MOFs but, despite this, resonances are overlapped in several cases. However, by considering a combination of the integration of quantitative spectra, the resonance position as a function of temperature and T1 relaxation measurements, the spectra can be fully assigned. It is also demonstrated that the prototypical MOF in this series, STAM-1, displays a similar crumple zone rearrangement on dehydration to the well-characterised 5-ethoxyisophthalate MOF (STAM-17-OEt) although, while the materials have similar local C environments, dehydrated STAM-1 exhibits less long-range order.
dc.format.extent865421
dc.format.extent338155
dc.language.isoeng
dc.relation.ispartofSolid State Nuclear Magnetic Resonanceen
dc.subjectParamagnetic NMRen
dc.subjectMetal-organic frameworksen
dc.subject13Cen
dc.subjectFast magic angle spinningen
dc.subjectCu(II)en
dc.subjectPaddlewheel dimeren
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.title13C pNMR of “crumple zone” Cu(II) isophthalate metal-organic frameworksen
dc.typeJournal articleen
dc.contributor.sponsorThe Royal Societyen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.identifier.doi10.1016/j.ssnmr.2019.05.005
dc.description.statusPeer revieweden
dc.date.embargoedUntil2020-11-14
dc.identifier.grantnumberWM150021en


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