Resumen
Topological analysis of electron localization function (ELF) using electron density for the investigation of sigmatropic shift of fluorine was presented. The ionic nature of the transition states was supported by the absence of fluorine and allyl fragment connecting polisynaptic basin. The role C-H bonding interactions in delocalization of electronic charge involved in fluorine migration was also presented.
Idioma original | Inglés |
---|---|
Páginas (desde-hasta) | 23-24 |
Número de páginas | 2 |
Publicación | Journal of Chemical Physics |
Volumen | 114 |
N.º | 1 |
DOI | |
Estado | Publicada - ene. 2001 |
Áreas temáticas de ASJC Scopus
- Física y astronomía (todo)
- Química física y teórica