The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study
Semiquantitative relationships between the localization of a π-electron system and its capacity to contribute to the spin-spin coupling constants are found theoretically and experimentally. Theoretically, enlargements of the INDO basis set and the tautomeric structures of 2-hydroxypyridine are used....
Autor principal: | |
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Otros Autores: | , , , |
Formato: | Capítulo de libro |
Lenguaje: | Inglés |
Publicado: |
1983
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Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
Aporte de: | Registro referencial: Solicitar el recurso aquí |
Sumario: | Semiquantitative relationships between the localization of a π-electron system and its capacity to contribute to the spin-spin coupling constants are found theoretically and experimentally. Theoretically, enlargements of the INDO basis set and the tautomeric structures of 2-hydroxypyridine are used. Experimentally, the long-range HH coupling constants in 6-methyl-2-pyridone are compared with the corresponding couplings in 2-X-6-methylpyridines (X = amino, formyl, cyano). Evidence shows that the π-contribution to the HH coupling constants is greater when the localization of this electron system is increased. © 1983. |
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ISSN: | 01661280 |
DOI: | 10.1016/0166-1280(83)80168-7 |