Table 1. Two-State Thermodynamic Changes upon Cavity−Ligand Binding^a.

C,L	ξeq	ΔG	ΔH	− TΔS	ΔGW	ΔUCL	ΔULW	ΔUCW	ΔUWW
N,N	−0.345	−16.5	−29.1	12.6	−10.5	−6 (0)	10(0)	4(0)	−37
+,N	−0.085	−2.3	11.7	−14.0	−1.2	−1 (0)	2(0)	0(0)	12
−,N	−0.105	−3.4	−3.0	−0.4	−1.4	−2 (0)	1(0)	−2 (−1)	0
−,+	−0.135	−13.0	−14.0	0.9	153.0	−166 (−164)	117(118)	149(146)	−114
+,−	−0.035	−6.1	−16.8	10.7	123.9	−130 (−128)	80(81)	121(119)	−88
N,+	[ −0.195]	12.9	45.8	−32.9	15.9	−3 (0)	19(15)	−28 (0)	57
N,−	[ −0.195]	19.9	75.7	−55.8	22.9	−3 (0)	34(29)	−35 (0)	79

^aξ values are in nm; thermodynamic data are in kJ mol⁻¹. The electrostatic components of the interaction energies are reported in parentheses. Square brackets are used for arbitrary ξ values in the case of ligand rejection. Larger ξ_eq values for (+,N), (−,N), (−,+), and (+,−) are due to solvent-separated binding.