Table 4. Computed Gas- and Aqueous-Phase Gibbs’ Free Energy of Binding of Indole and Monomer Fluorophores Using the M06-2X Functional, SMD implicit solvation, and 6-31+G(d,p) Basis Sets^a.

components of Gibbs’ free energy	dextrose	sucrose	1-ethyl-2-pyrrolidone	ethylene glycol
ΔbindG° (g)	2.1	1.7	1.5	–1.0
ΔsolvG° (ind)	–6.2	–6.2	–6.2	–6.2
ΔsolvG° (X)	–25.8	–37.0	–7.8	–11.4
ΔsolvG° (ind X)	–23.4	–38.2	–8.7	–9.7
ΔΔsolvG°	8.6	5.0	5.3	7.9
ΔbindG° (aq)	10.7	6.7	6.8	6.9

^aFollowing Scheme 1, the Δ_bindG° (g), Δ_bindG° (aq), and ΔΔ_solvG° quantities were calculated using eqs 8–10, respectively.