|
|||||
|
|
Stability and DFT Calculated Structure of Protonated Tetraethyl p-tert-Butyltetrathiacalix[4]arenetetraacetate in the cone Conformation |
|
| Authors: | Jiří Dybal Emanuel Makrlík Petr Vaňura Pavel Selucký |
| 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;(4) Nuclear Research Institute, Řež, Czech Republic |
| Abstract: | Summary. From extraction experiments in the two-phase water-nitrobenzene system and γ-activity measurements, the stability constant of protonated tetraethyl p-tert-butyltetrathiacalix[4]arenetetraacetate (cone) in nitrobenzene saturated with water was determined. Three different structures of the resulting complex species were indicated by means of the DFT calculations. |
| Keywords: | . Calixarenes Macrocycles Protonation Stability DFT. |
| 本文献已被 SpringerLink 等数据库收录！ | |