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- W1976520674 abstract "It is well known that the selectivity of a receptor for an anion depends on the compatibility of the cavity size of the receptor and the size of the anion. In this work the macrobicyclic [H6L(X)]5+ (X−=F, Cl, Br); are studied theoretically and compared with [H6L′(F)]5+ having a smaller cavity size. It was shown that the ideal match between the sizes of the protonated azacryptand and the fluoride ion exists in the [H6L′(F)]5+ complex but the [H6L]6+ is a better receptor than [H6L′]6+ in solution. Thus the results clearly indicate that in some special cases a better receptor is not one whose cavity size has better compatibility with the anion size." @default.
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- W1976520674 date "2013-11-01" @default.
- W1976520674 modified "2023-10-15" @default.
- W1976520674 title "A theoretical study on the importance of steric effects, electronic properties, interaction and solvation energies in the ‘host–guest’ chemistry of protonated azacryptands and halide anions" @default.
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- W1976520674 doi "https://doi.org/10.1016/j.tet.2013.08.064" @default.
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