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

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

doi:10.1021/acs.jpclett.8b02834

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

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

Chemistry

Research output: Contribution to journal › Article › peer-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 language	English (US)
Pages (from-to)	548-558
Number of pages	11
Journal	Journal of Physical Chemistry Letters
Volume	10
Issue number	3
DOIs	https://doi.org/10.1021/acs.jpclett.8b02834
State	Published - Feb 7 2019

ASJC Scopus subject areas

General Materials Science
Physical and Theoretical Chemistry

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

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.",

author = "Asif Equbal and Alisa Leavesley and Jain, {Sheetal Kumar} and Songi Han",

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T1 - Cross-Effect Dynamic Nuclear Polarization Explained

T2 - Polarization, Depolarization, and Oversaturation

AU - Equbal, Asif

AU - Leavesley, Alisa

AU - Jain, Sheetal Kumar

AU - Han, Songi

PY - 2019/2/7

Y1 - 2019/2/7

N2 - 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.

AB - 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.

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

Abstract

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