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Stereoelectronically-induced allosteric binding: shape complementarity promotes positive cooperativity in fullerene/buckybowl complexes.

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A novel 2 : 1 host-guest complex forms between 8-tert-butyl-6b2-azapenta-benzo[bc,ef,hi,kl,no]corannulene (1) and C60 with positive cooperativity (α = 2.56) and high affinity (K1 × K2 = 2.8 × 106 M-2) at 25… Click to show full abstract

A novel 2 : 1 host-guest complex forms between 8-tert-butyl-6b2-azapenta-benzo[bc,ef,hi,kl,no]corannulene (1) and C60 with positive cooperativity (α = 2.56) and high affinity (K1 × K2 = 2.8 × 106 M-2) at 25 °C. The C60 undergoes increasing shape complementarity toward 1 throughout the binding process.

Keywords: stereoelectronically induced; positive cooperativity; shape complementarity

Journal Title: Chemical communications
Year Published: 2022

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