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

Daniel M. Dawson, Charlotte E. F. Sansome, Lauren N. McHugh, Matthew J. McPherson, Laura J. McCormick McPherson, Russell E. Morris, Sharon E. Ashbrook

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)
14 Downloads (Pure)

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.
Original languageEnglish
JournalSolid State Nuclear Magnetic Resonance
VolumeIn press
Early online date14 May 2019
DOIs
Publication statusE-pub ahead of print - 14 May 2019

Keywords

  • Paramagnetic NMR
  • Metal-organic frameworks
  • 13C
  • Fast magic angle spinning
  • Cu(II)
  • Paddlewheel dimer

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