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Issue 36, 2016
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Evidence of spin-temperature in dynamic nuclear polarization: an exact computation of the EPR spectrum

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Abstract

In dynamic nuclear polarization (DNP) experiments, the compound is driven out-of-equilibrium by the microwave (MW) irradiation of the radical electron spins. Their stationary state has been recently probed via electron double resonance (ELDOR) techniques showing, at low temperature, a broad depolarization of the electron paramagnetic resonance (EPR) spectrum under microwave irradiation. In this theoretical manuscript, we develop a numerical method to compute exactly the EPR spectrum in the presence of dipolar interactions. Our results reproduce the observed broad depolarisation and provide a microscopic justification for the spectral diffusion mechanism. We show the validity of the spin-temperature approach for typical radical concentration used in dissolution DNP protocols. In particular once the interactions are properly taken into account, the spin-temperature is consistent with the non-monotonic behavior of the EPR spectrum with a wide minimum around the irradiated frequency.

Graphical abstract: Evidence of spin-temperature in dynamic nuclear polarization: an exact computation of the EPR spectrum

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Publication details

The article was received on 20 Jul 2016, accepted on 22 Aug 2016 and first published on 22 Aug 2016


Article type: Paper
DOI: 10.1039/C6CP05047F
Citation: Phys. Chem. Chem. Phys., 2016,18, 25655-25662
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    Evidence of spin-temperature in dynamic nuclear polarization: an exact computation of the EPR spectrum

    F. Caracciolo, M. Filibian, P. Carretta, A. Rosso and A. De Luca, Phys. Chem. Chem. Phys., 2016, 18, 25655
    DOI: 10.1039/C6CP05047F

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