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13C pNMR of “crumple zone” Cu(II) isophthalate metal-organic frameworks

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Date
14/05/2019
Author
Dawson, Daniel M.
Sansome, Charlotte E. F.
McHugh, Lauren N.
McPherson, Matthew J.
McCormick McPherson, Laura J.
Morris, Russell E.
Ashbrook, Sharon E.
Keywords
Paramagnetic NMR
Metal-organic frameworks
13C
Fast magic angle spinning
Cu(II)
Paddlewheel dimer
QD Chemistry
DAS
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Abstract
NMR 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.
Citation
Dawson , 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.2019.05.005
Publication
Solid State Nuclear Magnetic Resonance
Status
Peer reviewed
DOI
https://doi.org/10.1016/j.ssnmr.2019.05.005
ISSN
0926-2040
Type
Journal article
Rights
Copyright © 2019 Elsevier Inc. All rights reserved. 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 may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1016/j.ssnmr.2019.05.005
Description
SEA thanks the Royal Society and Wolfson Foundation for a merit award. REM and LNM thank the EPSRC for support (EP/N50936X/1).
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  • University of St Andrews Research
URI
http://hdl.handle.net/10023/20978

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