Title
Topological analysis of the electron localization function applied to the study of the [1,3] sigmatropic shift of fluorine in 3-fluorpropene
Date Issued
01 January 2001
Access level
metadata only access
Resource Type
journal article
Author(s)
Universidad de Chile
Publisher(s)
American Inst of Physics
Abstract
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.
Start page
23
End page
24
Volume
114
Issue
1
Language
English
OCDE Knowledge area
Química
Química orgánica
Subjects
Scopus EID
2-s2.0-0035148048
Source
Journal of Chemical Physics
ISSN of the container
00219606
Sources of information:
Directorio de Producción Científica
Scopus