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. 2022 Jul 7;13(29):8618–8625. doi: 10.1039/d2sc02901d

Relative Gibbs free energy of inclusion (ΔG) and electrophilicity index (ω).

Compound ΔG inclusiona (kcal mol−1) ω (eV)
TrF 1.11
TrCl 1.17
TrBr 1.31
TrI 1.52
TrBF4 3.48
TrF@CM 9.81 3.29
TrCl@CM −1.14 3.16
TrBr@CM −3.20 3.29
TrI@CM −2.41 3.46
TrBF4@CM −8.86 3.69
a

Referring to those of the host and the corresponding non-encapsulated guests.