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Fig. 1.4 Electrostatic potential maps (ESPs) for Q[5], Q[6], Q[7], and Q[8], respectively. ESPs
are mapped on electron density isosurfaces (0.001 e/au 3 ) for cucurbit[ n ]urils at the B3LYP/6-
311G (d, p) level of theory with Gaussian09
Scheme 1.2 a The outer-surface interactions between Q[ n ]s and aromatic molecules; b The
outer-surface interactions between Q[ n ]s and inorganic complex anion
ˀ interaction, hydrogen bonding, and ion-dipole interactions, which could gen-
erate numerous novel Q[ n ]-based supramolecular assemblies and result in a new
branch of Q[ n ] chemistry based on the outer-surface interactions (Scheme 1.2 ).
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