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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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