Magnetic field and orientation dependence of solid-state CIDNP

Denis V. Sosnovsky, Nikita N. Lukzen, Hans Martin Vieth, Gunnar Jeschke, Daniel Gräsing, Pavlo Bielytskyi, Jörg Matysik, Konstantin L. Ivanov

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

The magnetic field dependence of Chemically Induced Dynamic Nuclear Polarization (CIDNP) in solid-state systems is analyzed theoretically with the aim to explain the puzzling sign change of polarization found at low fields [D. Gräsing et al., Sci. Rep. 7, 12111 (2017)]. We exploit the analysis of polarization in terms of level crossings and level anti-crossings trying to identify the positions of features in the CIDNP field dependence with specific crossings between spin energy levels of the radical pair. Theoretical treatment of solid-state CIDNP reveals a strong orientation dependence of polarization due to the spin dynamics conditioned by anisotropic spin interactions. Specifically, different anisotropic CIDNP mechanisms become active at different magnetic fields and different molecular orientations. Consequently, the field dependence and orientation dependence of polarization need to be analyzed together in order to rationalize experimental observations. By considering both magnetic field and orientation dependence of CIDNP, we are able to explain the previously measured CIDNP field dependence in photosynthetic reaction centers and to obtain a good qualitative agreement between the experimental observations and theoretical results.

Original languageEnglish
Article number094105
Number of pages10
JournalJournal of Chemical Physics
Volume150
Issue number9
DOIs
Publication statusPublished - 7 Mar 2019

Keywords

  • PHOTOSYNTHETIC REACTION CENTERS
  • DYNAMIC NUCLEAR-POLARIZATION
  • RADICAL-PAIR
  • SPIN POLARIZATION
  • SPHAEROIDES R26
  • MAS NMR
  • MECHANISM
  • RECOMBINATION
  • CRYSTALS
  • SPECTRA

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