17O-1H correlation NMR spectroscopy provides accessible and direct insights into CO2 capture chemistry
Year: 2026
Type: article
Abstract: 17 O NMR spectroscopy is emerging as a powerful probe of the chemistry of CO 2 capture and storage materials. However, the technique is currently underutilised, owing to (i) challenging spectral interpretation of quadrupolar nuclei (I = 5/2), especially when multiple oxygen environments are present, and (ii) the restricted access to ultra-high magnetic fields that are often required to obtain high signal-to-noise spectra. In this work, we demonstrate and expand the use of 17 O- 1 H NMR correlation methods for application to CO 2 capture materials. Utilising the robust and accessible nature of PRESTO and D -RINEPT sequences, we provide insights into CO 2 binding sites in hydroxide-based metal–organic frameworks, MFU-4l-OH and CFA-1-OH. We report results readily obtained at accessible field strengths down to 9.4 T, highlighting the pros and cons compared to ultra-high field acquisition, and provide a refined model for the binding mechanism in CFA-1-OH, through uniquely accessible information of the zinc hydroxide binding sites. Finally, we include a brief Additional Information section at the end of this article detailing practical considerations for new 17 O- 1 H correlation pulse sequence users.
Language: English
Subfield: Spectroscopy
Field: Chemistry
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $3,750
Funders: National Science Foundation, UK Research and Innovation, Advantage West Midlands, Leverhulme Trust, University of Warwick, European Commission, Nederlandse Organisatie voor Wetenschappelijk Onderzoek, HORIZON EUROPE Framework Programme, Engineering and Physical Sciences Research Council, Biotechnology and Biological Sciences Research Council, Jesus College, University of Cambridge, European Regional Development Fund, Division of Chemistry
Awards: G2290622660, G2907406413, G3164089552, The uNMR-NL Grid: A distributed, state-of-the-art Magnetic Resonance facility for the Netherlands, G3716179185, G4197476736, G4296573280, G434337789, EPSRC Centre for Doctoral Training in Automated Chemical Synthesis Enabled by Digital Molecular Technologies, CAREER: Using Metal-Organic Frameworks to Harness Molecular Catalysts for Selective C-H Functionalization, A Pan-European Solid-State NMR Infrastructure for Chemistry-Enabling Access, G6060081955, The UK High-Field Solid-State NMR National Research Facility, G6831956292, G7569073955, G7633989764, Solid-State NMR at 1.0 GHz: A World-Leading UK Facility to Deliver Advances in Chemistry, Biology and Materials Science, G8551587572, G8845531966, G955821083
OpenAlex ID: W7147639108