The 9-barbaralyl and related C9H9+ carbocationsA QTAIM-DI-VISAB computational study

QTAIM-DI-VISAB analyses were used to characterize the bonding of the 9-barbaralyl cation, related C 9 H 9 + cations, and rearrangement transition states. These analyses involved obtaining quantum theory of an atom in a molecule (QTAIM) molecular graphs and delocalization indexes (DIs) that were correlated with visualization of the proximities of atomic basins (VISAB). This study provides new insights into the bonding of these species and …