Effect of substituents on mutual induced-fit process, responsible for effective hydrogen-bonded capsule formation

Molecular cavities formed by pi-conjugated component(s) generally, tend to collapse in the absence of guest molecule(s) especially in the solution-state, because of strong pi center dot center dot center dot pi interactions between molecular components. Recently, we have explored the importance of mutual induced-fit effect to sort out this issue. In the present report, we have shown the role of substituents on the effectiveness of mutual induced-fit process in an artificial system. Nature and type of para-substituent at aromatic ring of N-bridged ligand decides the aperture size of the resulting hemicarcerands, in the solid-state, which in turn show their effectiveness in mutual induced-fit process image