Indirect Detection of the Protons in and around Biradicals and their Mechanistic Role in MAS-DNP

The contribution of protons in or near biradical polarizing agents in Dynamic Nuclear Polarization (DNP) has recently been under scrutiny. Results from selective deuteration and simulations have previously suggested that the role of protons in the biradical molecule depends on the strength of the electron-electron coupling. Here we use the cross effect DNP mechanism to identify and acquire <sup>1</sup>H solid-state NMR spectra of the protons that contribute to propagation of the hyperpolarization, via an experimental approach dubbed Nuclear-Nuclear Double Resonance (NUDOR).

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Publication Details

Journal
The Journal of Physical Chemistry Letters
Published
2025-01-09
DOI
https://doi.org/10.1021/acs.jpclett.4c03254
Citations
6
Primary Topic
Advanced NMR Techniques and Applications
Type
article
Field-Weighted Citation Impact
4.54

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article

Indirect Detection of the Protons in and around Biradicals and their Mechanistic Role in MAS-DNP

Snorri Th. Sigurdsson, S. K. Chatterjee, Frédéric Mentink‐Vigier, Faith J. Scott et al.
6 citations
The Journal of Physical Chemistry Letters
Advanced NMR Techniques and Applications
4.54
article

Indirect Detection of the Protons in and around Biradicals and their Mechanistic Role in MAS-DNP

Snorri Th. Sigurdsson, S. K. Chatterjee, Frédéric Mentink‐Vigier, Faith J. Scott, Amrit Venkatesh
article en
6 citations

Abstract

The contribution of protons in or near biradical polarizing agents in Dynamic Nuclear Polarization (DNP) has recently been under scrutiny. Results from selective deuteration and simulations have previously suggested that the role of protons in the biradical molecule depends on the strength of the electron-electron coupling. Here we use the cross effect DNP mechanism to identify and acquire <sup>1</sup>H solid-state NMR spectra of the protons that contribute to propagation of the hyperpolarization, via an experimental approach dubbed Nuclear-Nuclear Double Resonance (NUDOR).

The Journal of Physical Chemistry LettersVol. 16(2)
Florida State University (US), University of Iceland (IS), National High Magnetic Field Laboratory (US)
Florida State University, European Commission, Háskóli Íslands, National Institute of General Medical Sciences, Division of Materials Research
Openalex Percentile: Top 6%
Advanced NMR Techniques and Applications
4.54
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