Indo study of the angular dependences of isotropic hyperfine interaction constants in the model conformations of the nitrobenzene radical anion Научная публикация
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Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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| Вых. Данные | Год: 2000, Том: 41, Номер: 3, Страницы: 368-377 Страниц : 10 DOI: 10.1007/BF02741993 | ||
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Реферат:
The UHF/INDO calculations of the model conformations of the nitrobenzene radical anion show that rotation of the nitro group relative to the plane of the benzene ring, is accompanied by a pyramidal distortion of the group caused by the pseudo-Jahn-Teller effect (vibronic interaction between the ground pi and totally symmetric lowest excited sigma states). The angular dependences of the N-14, C-13 H-1, and O-17 isotropic hyperfine interaction constants are analyzed Experimental ESR data are interpreted for the radical anions of nitrobenzene derivatives with ortho-alkyl groups.
Библиографическая ссылка:
Starichenko V.
, Shundrin L.
, Shchegoleva L.
, Shteingarts V.
Indo study of the angular dependences of isotropic hyperfine interaction constants in the model conformations of the nitrobenzene radical anion
Journal of Structural Chemistry. 2000. V.41. N3. P.368-377. DOI: 10.1007/BF02741993 WOS Scopus OpenAlex
Indo study of the angular dependences of isotropic hyperfine interaction constants in the model conformations of the nitrobenzene radical anion
Journal of Structural Chemistry. 2000. V.41. N3. P.368-377. DOI: 10.1007/BF02741993 WOS Scopus OpenAlex
Даты:
| Опубликована в печати: | 1 мая 2000 г. |
Идентификаторы БД:
| Web of science: | WOS:000165977600003 |
| Scopus: | 2-s2.0-0034561117 |
| OpenAlex: | W2009707634 |