Keep Your TEMPO Up: Nitroxide Radicals as Sensors of Intermolecular Interactions

URN to cite this document:: urn:nbn:de:bvb:355-epub-595138
DOI to cite this document:: 10.5283/epub.59513

Shenderovich, Ilya G.

License: Creative Commons Attribution 4.0
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Date of publication of this fulltext: 06 Nov 2024 13:10

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Abstract

This study examines experimental data on the influence of the surrounding medium and non-covalent interactions on the isotropic hyperfine coupling constant, Aiso(14N), of the stable nitroxide radical 2,2,6,6-Tetramethylpiperidin-1-yl)oxyl (TEMPO) in solution. The data were used to identify a density functional theory functional/basis set combination that accurately reproduces the experimental ...