We report the synthesis of two [2]rotaxanes containingan interlocked {three|3} dimensional binding cavity formed from a pyridinium bis(amide) axle {component|element} containing two phenol donors, and an isophthalamide {based|primarily based} macrocycle. {In the|Within the|Inside the} competitive solvent mixture 1:1 CDCl3:CD3OD, {one|1|a single|one particular} of thereceptors exhibits a {much|a lot|significantly|considerably|substantially|a great deal} {higher|greater|larger} selectivity preference forchloride than an analogous rotaxane {without|with out|without having|with no|devoid of|without the need of} the hydroxy groups. X-ray crystal structures reveal the chloride anion guest encapsulated {within|inside} the interlocked binding cavity, {though|although|even though} not {all of the|all the} hydrogen bond donors are utilised. Computational semiempirical simulations indicate that secondary intermolecular interactions {occur|happen|take place} {between|in between|among|amongst|involving} the axle hydroxy hydrogen bond donors {and the|and also the|as well as the|along with the|plus the} [2]rotaxane macrocycle {components|elements}, contributing to a {more|much more|a lot more|far more|additional|extra} preorganised binding pocket, which {maybe|perhaps|possibly} {responsible|accountable} for the observed enhanced selectivity. 917397-92-3 site 8-Bromo-5-quinolinecarboxylic acid site PMID:23789847
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