Isotropic hyperfine splitting in the nitroxide radicals 4-amino-2,2,5,5-tetramethyl-3-imidazoline- N-oxyl and 4-amino-2,2,6,6-tetramethylpiperidine- N-oxyl

Experimentally measured and DFT calculated isotropic hyperfine splitting constants for the nitroxide radicals 4-amino-2,2,5,5- tetramethyl-3-imidazoline- N-oxyl and 4-amino-2,2,6,6-tetramethylpiperidine- N-oxyl were compared to provide the basis for a choice of an appropriate level of low-cost DFT c...

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Bibliographic Details
Published in:Mendeleev communications 2004, Vol.14 (5), p.195-197
Main Authors: Ikryannikova, Larissa N., Ustynyuk, Leila Yu, Trubitsin, Boris V., Koksharov, Yurii A., Tikhonov, Alexander N.
Format: Article
Language:English
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Summary:Experimentally measured and DFT calculated isotropic hyperfine splitting constants for the nitroxide radicals 4-amino-2,2,5,5- tetramethyl-3-imidazoline- N-oxyl and 4-amino-2,2,6,6-tetramethylpiperidine- N-oxyl were compared to provide the basis for a choice of an appropriate level of low-cost DFT computations of electronic characteristics of nitroxide radicals.
ISSN:0959-9436
1364-557X
DOI:10.1070/MC2004v014n05ABEH001910