Extraction and DFT study on the complexation of H3O+ ion with tetrakis(2-ethoxyethoxy)-tetra-p-tert-butylcalix[4]arene期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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*Extraction and DFT study on the complexation of H₃O⁺ ion with tetrakis(2-ethoxyethoxy)-tetra-p-tert-butylcalix[4]arene*

Authors:	Emanuel Makrlík Michal ?ajan Jan Budka and Petr Vaňura

Institution:	(1) Faculty of Applied Sciences, University of West Bohemia, Pilsen, Czech Republic;(2) Department of Inorganic Chemistry, Faculty of Sciences, Palack? University, Olomouc, Czech Republic;(3) Institute of Chemical Technology, Prague, Czech Republic

Abstract:	Abstract Extraction experiments in the two-phase water/nitrobenzene system and γ-activity measurements were used to determine the stability constant of protonated tetrakis(2-ethoxyethoxy)-tetra-p-tert-butylcalix4]arene in nitrobenzene saturated with water. Density functional theory (DFT) calculations were applied to derive the most probable structure of the tetrakis(2-ethoxyethoxy)-tetra-p-tert-butylcalix4]arene·H₃O⁺ complex species.

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