Effects of biradical deuteration on the performance of DNP: Towards better performing polarizing agents

Perras, Frédéric A.; Reinig, Regina R.; Slowing, Igor I.; Sadow, Aaron D.; Pruski, Marek

doi:10.1039/C5CP06505D

Effects of biradical deuteration on the performance of DNP: Towards better performing polarizing agents

Journal Article · Fri Nov 20 00:00:00 EST 2015 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/C5CP06505D· OSTI ID:1227445

Perras, Frédéric A. ^[1]; Reinig, Regina R. ^[2]; Slowing, Igor I. ^[2]; Sadow, Aaron D. ^[2]; Pruski, Marek ^[2]

Ames Lab., Ames, IA (United States)
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

We study the effects of the deuteration of biradical polarizing agents on the efficiency of dynamic nuclear polarization (DNP) via the cross-effect. To this end, we synthesized a series of bTbK and TOTAPol biradicals with systematically increased deuterium substitution. The deuteration increases the radicals' relaxation time, thus contributing to a higher saturation factor and larger DNP enhancement, and reduces the pool of protons within the so-called spin diffusion barrier. Notably, we report that full or partial deuteration leads to improved DNP enhancement factors in standard samples, but also slows down the build-up of hyperpolarization. Improvements in DNP enhancements factors of up to 70% and time savings of up to 38% are obtained upon full deuteration. As a result, it is foreseen that this approach may be applied to other DNP polarizing agents thus enabling further sensitivity improvements.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1227445

Report Number(s):: IS-J--8842

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 1 Vol. 18; ISSN 1463-9076; ISSN PPCPFQ

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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¹⁹ F Magic Angle Spinning Dynamic Nuclear Polarization Enhanced NMR Spectroscopy Viger‐Gravel, Jasmine; Avalos, Claudia E.; Kubicki, Dominik J. Angewandte Chemie, Vol. 131, Issue 22 https://doi.org/10.1002/ange.201814416	journal	April 2019
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First α-deuterium nitroxides; synthesis and EPR study Toledo, Hila; Tumanskii, Boris; Sabirov, Denis Sh. Organic & Biomolecular Chemistry, Vol. 17, Issue 34 https://doi.org/10.1039/c9ob01127g	journal	January 2019
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