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....
| Autores principales: | Facelli, J.C., Contreras, R.H., de Kowalewski, D.G., Kowalewski, V.J., Piegala, R.N. |
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| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v94_n1-2_p163_Facelli |
| Aporte de: |
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