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Activation parameters for calixarene ring inversion were determined for the first time by computer-assisted simulation of the 1H-NMR spectra. It was found that the process is governed by the enthalpy term and features small, negative ΔS≠ for calix[4]arenes and positive ΔS≠ for calix[8]arenes. These data are of great significance to understanding the nature of calixarene conformations.
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Araki et al. (1989) studied this question.
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