Experimental Evidence, Stability and Proposed Structure of Protonated Tetramethyl p-tert-Butylcalix[4]arene Tetraketone

• Autorzy: Makrlík E. , Dybal J. , Budka J. , Vaoura V.
• Języki publikacji: EN

Abstrakty

EN

From extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium H3O+(aq) + 1×Na+(nb) 1.H3O+ (nb) + Na+(aq) taking place in the two-phase water–nitrobenzene system (1 = tetramethyl p-tert-butylcalix[4]arene tetraketone; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex(H3O+,1.Na+) = –0.6š0.1. Fur ther, the sta bil ity con stant of the 1×H3O+ complex in water saturated nitrobenzene corresponding to the equilibrium 1(nb) + H3O+(nb) 1×H3O+ (nb) was calculated for a temperature of 25°C as log beta nb (1×H3O+) = 9.7š0.2. Finally, by means of DFT cal cu la tions, three dif fer ent struc tures of this com plex spe cies were in di cated. The cal culated stabilization energy of 1×H3O+, –406.7 kJ mol–1, is the same for of all three optimized structures.

Słowa kluczowe

EN

calixarene; protonation; stability constant; DFT; structure

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2008
• Tom: Vol. 82, nr 7
• Strony: 1441--1441
• Opis fizyczny: –1447, Bibliogr. 21 poz., rys.

Twórcy

autor

Makrlík E.

autor

Dybal J.

autor

Budka J.

autor

Vaoura V.

• Faculty of Applied Sciences, University of West Bohemia, Husova 11, 306 14 Pilsen, Czech Republic,

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