Stability and DFT calculated structure of protonated tetraethyl p-tert-butyltetrathiacalix[4]arenetetraacetate in the cone conformation

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23520%2F07%3A00000300" target="_blank" >RIV/49777513:23520/07:00000300 - isvavai.cz</a>
Alternative codes found
RIV/61389013:_____/07:00308069 RIV/60461373:22340/07:00019603
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Stability and DFT calculated structure of protonated tetraethyl p-tert-butyltetrathiacalix[4]arenetetraacetate in the cone conformation
Original language description
Using the corresponding exchange extraction constant determined in the water-nitrobenzene system, the stability constant of the hydroxonium - substituted tetrathiacalix[4]arene complex in nitrobenzene saturated with water was calculated. Further, by means of the DFT method, the structure of this complex was derived.
Czech name
Stabilita a metodou DFT vypočtená struktura protonizovaného tetraethyl p-terc-butyltetrathiakalix[4]aren tetraacetátu v kónické konformaci
Czech description
Pomocí výměnné extrakční konstanty stanovené v systému voda-nitrobenzen byla vypočtena konstanta stability komplexu hydroxonia se substituovaným tetrathiakalix[4]arenem v nitrobenzenu nasyceném vodou. Metodou DFT byla dále odvozena struktura tohoto komplexu.

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
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Project
<a href="/en/project/1ET400500402" target="_blank" >1ET400500402: Computer modelling of chmical structures for the design of macromolecular systems with new biological, mechanical and electronic properties</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2007
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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