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. 2025 Apr 9;147(16):13851–13858. doi: 10.1021/jacs.5c02055

Table 1. Association Constants (Ka) for Binding of Dodecaborate Anions to γ-CD, δ-CD, or ε-CDa.

  Ka (M–1) for dodecaborate guestsb
Host   B12Cl122– B12Br122– B12I122–
γ-CD Ka (1:1) 2.6 × 104 5.5 × 104 2.4 × 105
  Ka (2:1) 1.9 × 104 2.1 × 106 2.1 × 104
δ-CDc Ka (1:1) 8.7 × 106 1.2 × 107 9.2 × 105
ε-CD Ka (1:1) 2.7 × 104 2.3 × 105 3.4 × 106c
a

Determined by 1H NMR spectroscopy titration in D2O, unless stated otherwise. Uncertainties on the fits are given in Section S9.

b

All as their disodium salts.

c

Determined by ITC in H2O.