Protonation of 25,27-bis(1-octyloxy)calix[4]arene-crown-6 in the 1,3-alternate conformation |
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| Authors: | Jiří Dybal Emanuel Makrlík Petr Vaňura Jan Budka |
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| Affiliation: | (1) Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic;(2) Faculty of Applied Sciences, University of West Bohemia, Pilsen, Czech Republic;(3) Institute of Chemical Technology, Prague, Czech Republic |
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| Abstract: | From extraction experiments in the two-phase water-nitrobenzene system and γ-activity measurements, the stability constant of protonated 1,3-alternate-25,27-bis(1-octyloxy)calix[4]arene-crown-6 in nitrobenzene saturated with water was determined. By using DFT calculations, the most probable structure of the 1,3-alternate-25,27-bis(1-octyloxy)calix[4]arene-crown-6 · H3O+ complex species was derived. Correspondence: Emanuel Makrlík, Faculty of Applied Sciences, University of West Bohemia, Pilsen, Czech Republic. |
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| Keywords: | Calixarenes Macrocycles Protonation DFT Structure. |
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