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. Author manuscript; available in PMC: 2024 Jan 10.
Published in final edited form as: J Org Chem. 2020 Sep 23;85(19):12367–12373. doi: 10.1021/acs.joc.0c01616

Table 1.

Binding Parameters for 1 with Cl− at 298 K

solvent A solvent B A/B (by volume) ET(30) (kcal mol−1) log(Ka) ΔGakcal  mol−1
H2O DMSO 1:10 47.4 0.77 ± 0.6 −1.05 ± 0.4
H2O DMSO 1:100 45.2 1.79 ± 0.2 −2.44 ± 0.1
DMSO 44.9 2.00 ± 0.2 −2.73 ± 0.1
DMSO CH2Cl2 1:2 43.9 2.28 ± 0.1 −3.11 ± 0.1
DMSO CH2Cl2 1:4 42.8 2.84 ± 0.1 −3.87 ± 0.1
DMSO CH2Cl2 1:20 41.2 3.71 ± 0.7 −5.06 ± 0.4
DMSO CH2Cl2 1:100 41.0 4.02 ± 0.4 −5.47 ± 0.2
CHCl3a H2O H2O-saturated 40.7 4.39 ± 0.1 −5.99 ± 0.1
a

Previously reported by UV/Vis titration.15 Values shown are an average of three 1H NMR titrations. See the Supporting Information for representative data and fitting.