Indo study of the angular dependences of isotropic hyperfese interaction constants in the model conformations of the nitrobenzene radical anion
| Autor: | Lyudmila N. Shchegoleva, L. A. Shundrin, V. D. Shteingarts, V. F. Starichenko |
|---|---|
| Rok vydání: | 2000 |
| Předmět: |
Solid-state physics
Isotropy Ring (chemistry) Photochemistry Ion Inorganic Chemistry Nitrobenzene chemistry.chemical_compound Crystallography chemistry Excited state Physics::Atomic and Molecular Clusters Materials Chemistry Physics::Chemical Physics Physical and Theoretical Chemistry Benzene Hyperfine structure |
| Zdroj: | Journal of Structural Chemistry. 41:368-377 |
| ISSN: | 1573-8779 0022-4766 |
| Popis: | The UHF/INDO calculations of the model conformations of the nitrobenzene radical onion 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 n and totally symmetric lowest excited σ states). The angular dependences of the14N,13C,1H, and17O Isotropic hyperfine interaction constants are analyzed. Experimental ESR data are interpreted for the radical anions of nitrobenzene derivatives with ortho-alkyl groups. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full text from SpringerLink