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

Andrei Gurinov, Sieland Benedikt, Andrey Kuzhelev, Hossam Elgabarty, Thomas D Kühne, Thomas Prisner, Jan Paradies, Marc Baldus, Konstantin L Ivanov, Svetlana Pylaeva

Research output: Contribution to journalArticleAcademicpeer-review

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.

Original languageEnglish
Pages (from-to)15371-15375
Number of pages5
JournalAngewandte Chemie-International Edition
Volume60
Issue number28
Early online date28 Apr 2021
DOIs
Publication statusPublished - 5 Jul 2021

Keywords

  • DNP in solids
  • Overhauser effect
  • ab initio calculations
  • mixed valence compounds
  • molecular dynamics

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