Table 2.

Experimental standard free energy (ΔG^o_expt), enthalpy (ΔH^o_expt), and entropy changes (−TΔS^o_expt) for complexation of ferrocene (Figure 3), bicyclo[2.2.2]octane (Figure 2) and adamantane (Figure 4) guests with CB[7] in H₂O at T = 298.15 K, reported in kcal/mol^a

	ΔGoexpt	ΔHoexpt	−TΔSoexpt	K/M−1
Ferrocene guestsb
F1	−13.0 ±0.1	−21.5 ±0.5	8.6 ±0.5	(3.2 ± 0.5) × 109
F2	−16.9 ± 0.2	−21.0 ± 0.5	4.1 ± 0.5	(2.4 ± 0.8) × 1012
F3	−17.2 ± 0.2	−21.5 ± 0.5	4.3 ± 0.4	(4.1 ± 1.0) × 1012
F6	−21.1 ± 0.2	−21.5 ± 0.2	0.5 ± 0.5	(3.0 ± 1.0) × 1015
Bicycle[2.2.2]octane guests
B2	−13.4 ± 0.1	−15.8 ± 0.2	2.4 ± 0.2	(6.1 ± 0.5)× 109
B5	−19.5 ± 0.2	−15.6 ± 0.4	−3.9 ± 0.5	(2.0 ± 0.5)× 1014
B11	−20.6 ± 0.4	−16.3 ± 0.4	−4.3 ± 0.5	(1.2 ± 0.5)× 1015
Adamantane guests
A1	−14.1 ± 0.2	−19.0 ± 0.4	4.9 ± 0.4	(2.3 ± 0.8)× 1010
A2	−19.4 ± 0.1	−19.3 ± 0.4	−0.1 ± 0.5	(1.7 ± 0.8)×1014
A3c	−20.3	−21.9 ± 0.4	1.7	7.7 × 1014
A4c	−21.5	−20.1 ± 0.4	−1.4	5 × 1015
A5	−19.1 ± 0.2	−19.5 ± 0.4	0.4 ± 0.5	(1.0 ± 0.3) × 1014

^aAll thermodynamic data are averages of three independent experimental runs, unless stated otherwise; see Table S1 in the Supporting Information for full details.

^bRef. 4.

^cDue to the extremely slow equilibrium, the ΔG^o_expt value was determined by the NMR competition technique, in which the error was not determined.