Solid Effect Dynamic Nuclear Polarization Enhancement of >500 at 9.4 T

Efficient polarizing agents for dynamic nuclear polarization (DNP) enhanced magic angle spinning (MAS) NMR spectroscopy are of high current interest due to the potential to significantly boost NMR sensitivity. While most efforts have centered on cross-effect (CE) or Overhauser effect (OE) mechanisms, yielding enhancement factors up to ∼300 at 9.4 T, radicals yielding solid effect (SE) DNP have seen less development. Here we model the comparative performance of OE and SE mechanisms and then measure <sup>1</sup>H enhancement factors up to 500 from 1,3-bisdiphenylene-2-phenylallyl (BDPA) in an <i>ortho</i>-terphenyl (OTP) matrix at 9.4 T, 100 K, achieved via increased microwave power across the sample volume. The measured SE and OE performances are in good agreement with the predictions. We note that both the experimental and theoretical analyses indicate that SE DNP remains saturation limited, particularly at elevated temperatures, and we envisage that further improvements in microwave power will further increase SE DNP enhancement factors.

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Publication Details

Journal
The Journal of Physical Chemistry Letters
Published
2024-12-10
DOI
https://doi.org/10.1021/acs.jpclett.4c03147
Citations
3
Primary Topic
Advanced NMR Techniques and Applications
Type
article
Field-Weighted Citation Impact
0.72

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article

Solid Effect Dynamic Nuclear Polarization Enhancement of >500 at 9.4 T

Lyndon Emsley, Yu Rao, Amrit Venkatesh, Ran Wei
3 citations
The Journal of Physical Chemistry Letters
Advanced NMR Techniques and Applications
0.72
article

Solid Effect Dynamic Nuclear Polarization Enhancement of >500 at 9.4 T

Lyndon Emsley, Yu Rao, Amrit Venkatesh, Ran Wei
article en
3 citations

Abstract

Efficient polarizing agents for dynamic nuclear polarization (DNP) enhanced magic angle spinning (MAS) NMR spectroscopy are of high current interest due to the potential to significantly boost NMR sensitivity. While most efforts have centered on cross-effect (CE) or Overhauser effect (OE) mechanisms, yielding enhancement factors up to ∼300 at 9.4 T, radicals yielding solid effect (SE) DNP have seen less development. Here we model the comparative performance of OE and SE mechanisms and then measure <sup>1</sup>H enhancement factors up to 500 from 1,3-bisdiphenylene-2-phenylallyl (BDPA) in an <i>ortho</i>-terphenyl (OTP) matrix at 9.4 T, 100 K, achieved via increased microwave power across the sample volume. The measured SE and OE performances are in good agreement with the predictions. We note that both the experimental and theoretical analyses indicate that SE DNP remains saturation limited, particularly at elevated temperatures, and we envisage that further improvements in microwave power will further increase SE DNP enhancement factors.

The Journal of Physical Chemistry LettersVol. 15(50)
École Polytechnique Fédérale de Lausanne (CH)
Agence Nationale de la Recherche, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, H2020 Marie Skłodowska-Curie Actions
Affordable and clean energy
Openalex Percentile: Top 32%
Advanced NMR Techniques and Applications
0.72
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