Complexation of alkali cations by calix[4]crown ionophores: Conformation and solvent dependent Na⁺/Cs⁺ binding selectivity and extraction: MD simulations in the gas phase, in water and at the chloroform-water interface

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• This manuscript was submitted in July 1994. A preliminary report was presented before78. Since then, three important publications appeared concerning the Na+ / Cs+ extraction of conformationally flexible / rigid calix[4]arene derivatives79–81; the stability constants in methanol have also been determined80. Alkali cations transport experiments through supported liquid membranes and extraction data has been reported for various calix-crown and calix-bis-crown derivatives as ionoophores81. These results fully support our conclusion on the conformation dependent Na+ / Cs+ selectivity and on the high Cs+ ionophoricity of the 1, 3-alternate form of calix-C6.
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• Wipff , G. and Lauterbach , M. in preparation
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