Experimental Evidence, Stability and Proposed Structure of Protonated Tetramethyl p-tert-Butylcalix[4]arene Tetraketone
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F08%3A00020391" target="_blank" >RIV/60461373:22310/08:00020391 - isvavai.cz</a>
Alternative codes found
RIV/61389013:_____/08:00323759 RIV/60461373:22340/08:00020708 RIV/49777513:23520/08:00500488
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Experimental Evidence, Stability and Proposed Structure of Protonated Tetramethyl p-tert-Butylcalix[4]arene Tetraketone
Original language description
From extraction experiments and ?-activity measurements, the extraction constant corre - spond ing to the equilibrium H3O+(aq) + 1xNa+(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+) = ?0.6?0.1. Further, the stability constant of the 1xH3O+ complex in water saturated nitrobenzene corresponding to the equilibrium 1(nb) + H3O+(nb) 1xH3O+ (nb) was calculated for a temperature of 25°C as log bnb (1xH3O+) = 9.7?0.2. Finally, by means of DFT calculations, three different structures of this complex species were indicated. The calculated stabilization energy of 1xH3O+, ?406.7 kJ mol?1, is the same for of all three optimized structures.
Czech name
Experimentální důkaz, stabilita a předpokládaná struktura protonizovaného Tetramethyl p-terc-Butylcalix[4]arenu Tetraketonu
Czech description
Extrakční experimenty byly použity ke stanovení konstant odpovídajících rovnováze H3O+(aq) + 1xNa+(nb) 1.H3O+ (nb) + Na+(aq) (1 = tetramethyl p-terc-butylcalix[4]aren tetraketon; aq = vodná fáze, nb = nitrobenzen. fáze). Struktura protonizovaného calixarenu byla určena pomocí DFT výpočtů.
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Polish Journal of Chemistry
ISSN
0137-5083
e-ISSN
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Volume of the periodical
82
Issue of the periodical within the volume
7
Country of publishing house
PL - POLAND
Number of pages
7
Pages from-to
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UT code for WoS article
000257175700014
EID of the result in the Scopus database
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