Pulse EPR and ENDOR study of 1,2,3-benzodithiazolyl, 2,1,3-benzothiaselenazolyl and 1,2,3-benzodiselenazolyl radicals Full article
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Physical Chemistry Chemical Physics
ISSN: 1463-9076 , E-ISSN: 1463-9084 |
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| Output data | Year: 2011, Volume: 13, Number: 9, Pages: 3873-3880 Pages count : 8 DOI: 10.1039/c0cp02051f | ||||||
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Abstract:
1,2,3-Benzodithiazolyl, 2,1,3-benzothiaselenazolyl and 1,2,3-benzodiselenazolyl radicals were generated by the reduction of the corresponding cations and investigated by pulse EPR and ENDOR in frozen CHCl3 solutions at 30 and 80 K. These methods, in combination with density functional theory calculations, were used to study the magnetic parameters of the radicals, namely the principal values of the nitrogen and proton hyperfine interactions and g-tensors. The spin density distribution was shown to be nearly the same for all investigated radicals and, therefore, replacement of sulfur by selenium leads to a limited perturbation of the radicals' electronic structure. A high anisotropy of the g-tensors was found for the selenium-containing radicals.
Cite:
Pivtsov A.V.
, Kulik L.V.
, Makarov A.Y.
, Blockhuys F.
Pulse EPR and ENDOR study of 1,2,3-benzodithiazolyl, 2,1,3-benzothiaselenazolyl and 1,2,3-benzodiselenazolyl radicals
Physical Chemistry Chemical Physics. 2011. V.13. N9. P.3873-3880. DOI: 10.1039/c0cp02051f WOS Scopus РИНЦ OpenAlex
Pulse EPR and ENDOR study of 1,2,3-benzodithiazolyl, 2,1,3-benzothiaselenazolyl and 1,2,3-benzodiselenazolyl radicals
Physical Chemistry Chemical Physics. 2011. V.13. N9. P.3873-3880. DOI: 10.1039/c0cp02051f WOS Scopus РИНЦ OpenAlex
Identifiers:
| Web of science: | WOS:000287411700035 |
| Scopus: | 2-s2.0-79952404354 |
| Elibrary: | 16732796 |
| OpenAlex: | W1968486630 |