Extraction and DFT study on interaction of the univalent thallium cation with calix[4]arene-(1,2-phenylene-crown-6,crown-6)

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F15%3A43901535" target="_blank" >RIV/60461373:22340/15:43901535 - isvavai.cz</a>

Alternative codes found

RIV/60460709:41330/16:71235 RIV/60461373:22340/16:43901756

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Extraction and DFT study on interaction of the univalent thallium cation with calix[4]arene-(1,2-phenylene-crown-6,crown-6)

Original language description

On the basis of extraction experiments and ?-activity measurements, the extraction constant corresponding to the equilibrium Tl+ (aq) + 1.Cs+ (nb) RIGHTWARDS ARROW OVER LEFTWARDS ARROW 1.Tl+ (nb) + Cs+ (aq) occurring in the two-phase water- nitrobenzenesystem (1 = calix[4]arene-(1,2-phenylene-crown-6,crown-6); aq = aqueous phase, nb = nitrobenzene phase)was determined as log Kex(Tl+,1.Cs+)=0.4+-0.1. Further, the very high stability constant of the 1.Tl+ complex in nitrobenzene saturated with water wascalculated for a temperature of 25 oC: log ?(1.Tl+) = 9.9 +- 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structures A and B of this cationic complex species, which are obviously in a dynamic equilibrium, were derived.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CB - Analytical chemistry, separation

OECD FORD branch

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Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2015

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Molecular Liquids

ISSN

0167-7322

e-ISSN

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Volume of the periodical

218

Issue of the periodical within the volume

únor

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

5

Pages from-to

473-477

UT code for WoS article

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EID of the result in the Scopus database

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