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Kubicki DJ, Casano G, Schwarzwälder M, et al. Rational design of dinitroxide biradicals for efficient cross-effect dynamic nuclear polarization. Chem Sci. 2015;7(1):550-558doi: 10.1039/c5sc02921j.
Kubicki, D. J., Casano, G., Schwarzwälder, M., Abel, S., Sauvée, C., Ganesan, K., Yulikov, M., Rossini, A. J., Jeschke, G., Copéret, C., Lesage, A., Tordo, P., Ouari, O., & Emsley, L. (2016). Rational design of dinitroxide biradicals for efficient cross-effect dynamic nuclear polarization. Chemical science, 7(1), 550-558. https://doi.org/10.1039/c5sc02921j
Kubicki, Dominik J, et al. "Rational design of dinitroxide biradicals for efficient cross-effect dynamic nuclear polarization." Chemical science vol. 7,1 (2016): 550-558. doi: https://doi.org/10.1039/c5sc02921j
Kubicki DJ, Casano G, Schwarzwälder M, Abel S, Sauvée C, Ganesan K, Yulikov M, Rossini AJ, Jeschke G, Copéret C, Lesage A, Tordo P, Ouari O, Emsley L. Rational design of dinitroxide biradicals for efficient cross-effect dynamic nuclear polarization. Chem Sci. 2016 Jan 01;7(1):550-558. doi: 10.1039/c5sc02921j. Epub 2015 Oct 13. PMID: 29896347; PMCID: PMC5952883.
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Chem Sci. 2016 Jan 01;7(1):550-558. doi: 10.1039/c5sc02921j. Epub 2015 Oct 13.

Rational design of dinitroxide biradicals for efficient cross-effect dynamic nuclear polarization.

Chemical science

Dominik J Kubicki, Gilles Casano, Martin Schwarzwälder, Sébastien Abel, Claire Sauvée, Karthikeyan Ganesan, Maxim Yulikov, Aaron J Rossini, Gunnar Jeschke, Christophe Copéret, Anne Lesage, Paul Tordo, Olivier Ouari, Lyndon Emsley

Affiliations

  1. Institut des Sciences et Ingénierie Chimiques , Ecole Polytechnique Fédérale de Lausanne (EPFL) , CH-1015 Lausanne , Switzerland . Email: [email protected].
  2. Aix-Marseille Université , CNRS , ICR UMR 7273 , 13397 Marseille , France . Email: [email protected] ; Email: [email protected].
  3. ETH Zurich , Department of Chemistry, Laboratory of Inorganic Chemistry , 8093 Zurich , Switzerland.
  4. Université de Lyon , Institut de Sciences Analytiques (CNRS / ENS de Lyon / UCB-Lyon 1) , Centre de RMN à Très Hauts Champs , 69100 Villeurbanne , France.

PMID: 29896347 PMCID: PMC5952883 DOI: 10.1039/c5sc02921j

Abstract

A series of 37 dinitroxide biradicals have been prepared and their performance studied as polarizing agents in cross-effect DNP NMR experiments at 9.4 T and 100 K in 1,1,2,2-tetrachloroethane (TCE). We observe that in this regime the DNP performance is strongly correlated with the substituents on the polarizing agents, and electron and nuclear spin relaxation times, with longer relaxation times leading to better enhancements. We also observe that deuteration of the radicals generally leads to better DNP enhancement but with longer build-up time. One of the new radicals introduced here provides the best performance obtained so far under these conditions.

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