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

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/60460709:41330/13:63624

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

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

Popis výsledku anglicky

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

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CB - Analytická chemie, separace

OECD FORD obor

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Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2013

Kód důvěrnosti údajů

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

Název periodika

Journal of Radioanalytical and Nuclear Chemistry

ISSN

0236-5731

e-ISSN

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Svazek periodika

298

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

5

Strana od-do

775-779

Kód UT WoS článku

000325624300006

EID výsledku v databázi Scopus

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