Mechanism of the fast exchange between bound and free guests in cucurbit[7]uril-guest systems.

Abstract

The fast exchange is found to be due to the mismatch between the hydrophobic interaction inside the CB[7] cavity and the ion-dipole/hydrogen-bonding interactions in the port region of the CB[7]. This mismatch also induces the multi-step separation process between guest and CB[7] molecules, as elucidated by molecular dynamics simulation.

DOI: 10.1039/c0cp02349c

Cite this paper

@article{Yu2011MechanismOT, title={Mechanism of the fast exchange between bound and free guests in cucurbit[7]uril-guest systems.}, author={Ji-sheng Yu and Fu-Gen Wu and Le-Fu Tao and Jun-jie Luo and Zhi-Wu Yu}, journal={Physical chemistry chemical physics : PCCP}, year={2011}, volume={13 9}, pages={3638-41} }