Organic letters

Cucurbituril Slippage: Translation is a Complex Motion

X Ling, EL Samuel, DL Patchell, E Masson

Index: Ling, Xiaoxi; Samuel, E. Loic; Patchell, Devin L.; Masson, Eric Organic Letters, 2010 , vol. 12, # 12 p. 2730 - 2733

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Citation Number: 22

Abstract

The kinetics of cucurbit [6] uril slippage along a polyaminated axle are highly dependent on even minor sterical alterations of the guest. According to in silico experiments, a plausible threading mechanism includes the deprotonation of the ammoniums prior to slippage, their tunneling through the cavitand as neutral amines, and their reprotonation upon exiting cucurbit [6] uril.