Extraction and DFT study on the complexation of the methylammonium cation with a hexaarylbenzene-based receptor

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F13%3A43895874" target="_blank" >RIV/60461373:22340/13:43895874 - isvavai.cz</a>

Alternative codes found

RIV/60460709:41330/13:63624

Result on the web

<a href="http://link.springer.com/article/10.1007%2Fs10967-013-2472-4" target="_blank" >http://link.springer.com/article/10.1007%2Fs10967-013-2472-4</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10967-013-2472-4" target="_blank" >10.1007/s10967-013-2472-4</a>

Result language

angličtina

Original language name

Extraction and DFT study on the complexation of the methylammonium cation with a hexaarylbenzene-based receptor

Original language description

From extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium CH3NH3 (+)(aq) + 1 center dot Cs+(nb) a double dagger" 1 center dot CH3NH3 (+)(nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system (1 = hexaarylbenzene-based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K (ex) (CH3NH3 (+), 1 center dot Cs+) = -0.4 +/- A 0.1. Further, the stability constant of the 1 center dot CH3NH3 (+) complex in nitrobenzene saturated with water was calculated for a temperature of 25 A degrees C: log beta (nb) (1 center dot CH3NH3 (+)) = 5.2 +/- A 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structures A and B of the 1 center dot CH3NH3(+) cationic complex species, which are obviously in a dynamic equilibrium, were indicated. In both of these structures of the resulting complex 1 center dot CH3NH3 (+), the cation CH3NH3 (+) synergistically interacts with the polar ether

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

S - Specificky vyzkum na vysokych skolach

Publication year

2013

Confidentiality

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

Name of the periodical

Journal of Radioanalytical and Nuclear Chemistry

ISSN

0236-5731

e-ISSN

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Volume of the periodical

298

Issue of the periodical within the volume

2

Country of publishing house

DE - GERMANY

Number of pages

5

Pages from-to

775-779

UT code for WoS article

000325624300006

EID of the result in the Scopus database

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