ArticleProceedings of the National Academy of Sciences of the United States of America2023
Polarizing agents beyond pentacene for efficient triplet dynamic nuclear polarization in glass matrices.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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6 citing papers in PubMed, 26 citations in OpenAlex.
- Single-Carbon Bridged Pentacene Dimers Enable Efficient Singlet Fission and Quintet State Stabilization.Journal of the American Chemical Society · 2026Article
- Substituted Fullerenes for Enhanced Optical Nuclear Hyperpolarization in Random Orientations.Nature communications · 2025Article
- NMR Based Methods for Metabolites Analysis.Analytical chemistry · 2025Review
- Theoretical Study on Singlet Fission Dynamics and Triplet Migration Process in Symmetric Heterotrimer Models.Molecules (Basel, Switzerland) · 2024Article
- Modulation of triplet quantum coherence by guest-induced structural changes in a flexible metal-organic framework.Nature communications · 2024Article
- Triplet dynamic nuclear polarization of pyruvateChemical science · 2023Article
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Authors and funding
7 authors at 3 institutions in 1 country.
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Abstract
Triplet dynamic nuclear polarization (triplet-DNP) is a technique that can obtain high nuclear polarization under moderate conditions. However, in order to obtain practically useful polarization, large single crystals doped with a polarizing agent must be strictly oriented with respect to the magnetic field to sharpen the electron spin resonance (ESR) spectra, which is a fatal problem that prevents its application to truly useful biomolecular targets. Instead of this conventional physical approach of controlling crystal orientation, here, we propose a chemical approach, i.e., molecular design of polarizing agents; pentacene molecules, the most typical triplet-DNP polarizing agent, are modified so as to make the triplet electron distribution wider and more isotropic without loss of the triplet polarization. The thiophene-modified pentacene exhibits a sharper and stronger ESR spectrum than the parent pentacene, and state-of-the-art quantum chemical calculations revealed that the direction of the spin polarization is altered by the modification with thiophene moieties and the size of
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