Journal article
7-Norbornyl Cation Fact or Fiction? A QTAIM-DI-VISAB Computational Study
Abstract
QTAIM-DI-VISAB analyses were used to characterize the bonding of the 'nonclassical' 7-norbornyl cation and its rearrangement transitions states. These analyses involved obtaining QTAIM molecular graphs and delocalization indexes (DIs) that were correlated with the proximities of atomic basins (VISAB). This study showed that the so-called 7-norbornyl cation actually exhibits the molecular graph of the bicyclo[3.2.0]heptyl cation at its …
Authors
Werstiuk NH
Journal
Journal of Chemical Theory and Computation, Vol. 3, No. 6, pp. 2258–2267
Publisher
American Chemical Society (ACS)
Publication Date
November 1, 2007
DOI
10.1021/ct700176d
ISSN
1549-9618