. Author manuscript; available in PMC: 2015 Oct 30.

Published in final edited form as: Phys Chem Chem Phys. 2015 Oct 28;17(43):29262–29270. doi: 10.1039/c5cp04668h

Table 3.

Binding energies (kcal/mol) to a 4-benzene aromatic box

	Binding Energy	Theoretical^a	Sum^b	Discrepancy^c
NH₄⁺	59.6	78.0	71.1	18.4
NMe₄⁺	39.2	43.2	42.3	4.0

Four times the binding energy for a single ion-benzene complex.

Four times the binding energy of a single cation-box aromatic.

The difference between the theoretical binding energy and the calculated binding energy.