Cross-Effect Dynamic Nuclear Polarization Explained: Polarization, Depolarization, and Oversaturation

Asif Equbal, Alisa Leavesley, Sheetal Kumar Jain, Songi Han

Research output: Contribution to journalArticlepeer-review

Abstract

The scope of this Perspective is to analytically describe NMR hyperpolarization by the three-spin cross effect (CE) dynamic nuclear polarization (DNP) using an effective Hamiltonian concept. We apply, for the first time, the bimodal operator-based Floquet theory in the Zeeman-interaction frame for two and three coupled spins to derive the known interaction Hamiltonian for CE-DNP. With a unified understanding of CE-DNP, and supported by empirical observation of the state of electron spin polarization under the given experimental conditions, we explain diverse manifestations of CE from oversaturation, enhanced hyperpolarization by broad-band saturation, to nuclear spin depolarization under magic-angle spinning.

Original languageEnglish (US)
Pages (from-to)548-558
Number of pages11
JournalJournal of Physical Chemistry Letters
Volume10
Issue number3
DOIs
StatePublished - Feb 7 2019

ASJC Scopus subject areas

  • Materials Science(all)
  • Physical and Theoretical Chemistry

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