Mixed-valence compounds as polarizing agents for Overhauser dynamic nuclear polarization in solids

Publication date

2021-07-05

Authors

Gurinov, AndreiISNI 0000000493067967
Benedikt, Sieland
Kuzhelev, Andrey
Elgabarty, Hossam
Kühne, Thomas D
Prisner, Thomas
Paradies, Jan
Baldus, MarcISNI 0000000139673796
Ivanov, KonstantinISNI 0000000523805204
Pylaeva, Svetlana

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Document Type

Article
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Abstract

Herein, we investigate a novel set of polarizing agents—mixed-valence compounds—by theoretical and experimental methods and demonstrate their performance in high-field dynamic nuclear polarization (DNP) NMR experiments in the solid state. Mixed-valence compounds constitute a group of molecules in which molecular mobility persists even in solids. Consequently, such polarizing agents can be used to perform Overhauser-DNP experiments in the solid state, with favorable conditions for dynamic nuclear polarization formation at ultra-high magnetic fields.

Keywords

DNP in solids, Overhauser effect, ab initio calculations, mixed valence compounds, molecular dynamics, Catalysis, General Chemistry

Citation

Gurinov, A, Benedikt, S, Kuzhelev, A, Elgabarty, H, Kühne, T D, Prisner, T, Paradies, J, Baldus, M, Ivanov, K L & Pylaeva, S 2021, 'Mixed-valence compounds as polarizing agents for Overhauser dynamic nuclear polarization in solids', Angewandte Chemie-International Edition, vol. 60, no. 28, pp. 15371-15375. https://doi.org/10.1002/anie.202103215