Dynamic and Static Behavior of Intramolecular π-π Interactions in [2.2]- and [3.3]Cyclophanes, Elucidated by QTAIM Dual Functional Analysis with QC Calculations

Dynamic and static nature of the intramolecular π–π interactions between phenyl moieties is elucidated for cyclophanes, 1,4-C6H4(CnH2n)2C6H4-1’,4’ (1 (n = 2) and 2 (n = 3)), 1,3,5-C6H3(CnH2n)3C6H3-1’,3’,5’ (3 (n = 2) and 4 (n = 3)), C6(CnH2n)6C6 (5 (n = 2) and 6 (n = 3)), and 1’,4’-C6H4(CnH2n)2-1,4-C6H2-2,5-(CnH2n)2C6H4-2’’,5’’ (7 (n = 2) and 8 (n = 3)). QTAIM-DFA (QTAIM dual functional analysis) was applied for the elucidations, together with...