Pushing Limits of Ultra-wideline Solid-State NMR Spectroscopy: NMR Signatures of 209Bi and 127I in Metal–Organic Frameworks at Ultra-high Magnetic Fields,Journal of the American Chemical Society

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Pushing Limits of Ultra-wideline Solid-State NMR Spectroscopy: NMR Signatures of 209Bi and 127I in Metal–Organic Frameworks at Ultra-high Magnetic Fields
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2025-03-19 , DOI: 10.1021/jacs.4c17499
Wanli Zhang ₁ , Yijue Xu ₂ , Amrit Venkatesh ₂ , Ivan Hung ₂ , Shuting Li ₁ , Zhehong Gan ₂ , Yining Huang ₁

Affiliation

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 ²⁰⁹Bi and ¹²⁷I 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 ²⁰⁹Bi and ¹²⁷I 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.

中文翻译：

突破超宽线固体核磁共振波谱的极限：超高磁场下金属有机框架中 209Bi 和 127I 的核磁共振特征

含铋和含碘的金属有机框架（MOF）在催化、气体吸附和发光中至关重要，Bi 和 I 离子的局部环境决定了它们的性能。由于 MOF 中的四极相互作用非常大，因此使用 ²⁰⁹Bi 和 ¹²⁷I 固体 NMR （SSNMR）进行表征极具挑战性。在这里，我们展示了在高达 36 T 的超高磁场下获得的 8 个 MOF 的超宽线（UW） SSNMR 光谱，宽度为 8-50 MHz，揭示了非常大的四极耦合。这些光谱揭示了关键的结构细节，包括脱水、客体吸附、相变和无序。本研究将 ²⁰⁹Bi 和 ¹²⁷I UW SSNMR 确立为在重量稀释系统中探测 Bi 和 I 离子的强大工具，在催化、太阳能电池、生物化学等领域提供了广泛的应用。

更新日期：2025-03-19

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