Experts has a new look! Let us know what you think of the updates.

Provide feedback
Home
Scholarly Works
7-Norbornyl Cation  Fact or Fiction? A...
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