Pushing Limits of Ultra-wideline Solid-State NMR Spectroscopy: NMR Signatures of <sup>209</sup>Bi and <sup>127</sup>I in Metal–Organic Frameworks at Ultra-high Magnetic Fields
Bismuth- and iodine-containing metal-organic frameworks (MOFs) are crucial in catalysis, gas adsorption, and luminescence, with local environments of Bi and I ions shaping their performance. Using <sup>209</sup>Bi and <sup>127</sup>I solid-state NMR (SSNMR) for characterization is extremely challenging due to the exceedingly large quadrupolar interactions in MOFs. Here, we present ultra-wideline (UW) SSNMR spectra of eight MOFs acquired at ultra-high magnetic fields up to 36 T, with breadths of 8-50 MHz, revealing very large quadrupolar couplings. These spectra uncover key structural details, including dehydration, guest adsorption, phase transitions, and disorder. This study establishes <sup>209</sup>Bi and <sup>127</sup>I UW SSNMR as powerful tools for probing Bi and I ions in weight-dilute systems, offering broad applications in catalysis, solar cells, biochemistry, and beyond.
Authors
- Yijue Xu (ORCID: https://orcid.org/0000-0002-9875-5609)
- Yining Huang (ORCID: https://orcid.org/0000-0001-9265-5896)
- Shu‐Ting Li (ORCID: https://orcid.org/0000-0001-9904-3024)
- Ivan Hung (ORCID: https://orcid.org/0000-0001-8916-739X)
- Amrit Venkatesh (ORCID: https://orcid.org/0000-0001-5319-9269)
- Zhehong Gan (ORCID: https://orcid.org/0000-0002-9855-5113)
- Wanli Zhang (ORCID: https://orcid.org/0000-0003-0519-3684)
Institutions
- Florida State University (US)
- Western University (CA)
- National High Magnetic Field Laboratory (US)
Publication Details
- Journal
- Journal of the American Chemical Society
- Published
- 2025-03-19
- DOI
- https://doi.org/10.1021/jacs.4c17499
- Citations
- 6
- Primary Topic
- Advanced NMR Techniques and Applications
- Type
- article
- Field-Weighted Citation Impact
- 4.54
Funders
- National Science Foundation
- National Institutes of Health
- Natural Sciences and Engineering Research Council of Canada