Spin density localization and accessibility of organic radicals affect liquid-state DNP efficiency

Published: Friday, 04 June 2021 - 00:00 UTC

Author: Thorsten Maly

Levien, Marcel, Maik Reinhard, Markus Hiller, Igor Tkach, Marina Bennati, and Tomas Orlando. “Spin Density Localization and Accessibility of Organic Radicals Affect Liquid-State DNP Efficiency.” Physical Chemistry Chemical Physics 23, no. 8 (2021): 4480–85.

https://doi.org/10.1039/D0CP05796G.

We report a large variation in liquid DNP performance of up to a factor of about five in coupling factor among organic radicals commonly used as polarizing agents. A comparative study of 1H and 13C DNP in model systems shows the impact of the spin density distribution and accessibility of the radical site by the target molecule.