Experimental and DFT study on the complexation of the silver cation with calix[4]arene-bis(t-octylbenzo-18-crown-6)

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F13%3A43895849" target="_blank" >RIV/60461373:22340/13:43895849 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60460709:41330/13:63625

Výsledek na webu

<a href="http://link.springer.com/article/10.1007%2Fs10967-012-2380-z" target="_blank" >http://link.springer.com/article/10.1007%2Fs10967-012-2380-z</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10967-012-2380-z" target="_blank" >10.1007/s10967-012-2380-z</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Experimental and DFT study on the complexation of the silver cation with calix[4]arene-bis(t-octylbenzo-18-crown-6)

Popis výsledku v původním jazyce

From extraction experiments and gamma-activity measurements, the exchange extraction constant corresponding to the equilibrium Ag+ (aq) + 1 center dot Cs+(org) a double dagger" 1 center dot Ag+ (org) + Cs+ (aq) taking place in the two-phase water-phenyltrifluoromethyl sulfone (FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as logK (ex) (Ag+, 1 center dot Cs+) = -1.5 +/- A 0.1. Further, the stability constant of the 1 center dot Ag+ complex in FS 13 saturated with water was calculated for a temperature of 25 A degrees C: log beta (org)(1 center dot Ag+) = 10.1 +/- A 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1center dot Ag+ was derived. In the resulting 1 center dot Ag+ complex, the "central" cation Ag+ is bound by eight bond interactions to six oxygen atoms from the respective 18-crown-6 moiety and to two carbons of the corresponding two ben

Název v anglickém jazyce

Experimental and DFT study on the complexation of the silver cation with calix[4]arene-bis(t-octylbenzo-18-crown-6)

Popis výsledku anglicky

From extraction experiments and gamma-activity measurements, the exchange extraction constant corresponding to the equilibrium Ag+ (aq) + 1 center dot Cs+(org) a double dagger" 1 center dot Ag+ (org) + Cs+ (aq) taking place in the two-phase water-phenyltrifluoromethyl sulfone (FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as logK (ex) (Ag+, 1 center dot Cs+) = -1.5 +/- A 0.1. Further, the stability constant of the 1 center dot Ag+ complex in FS 13 saturated with water was calculated for a temperature of 25 A degrees C: log beta (org)(1 center dot Ag+) = 10.1 +/- A 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1center dot Ag+ was derived. In the resulting 1 center dot Ag+ complex, the "central" cation Ag+ is bound by eight bond interactions to six oxygen atoms from the respective 18-crown-6 moiety and to two carbons of the corresponding two ben

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

—

Svazek periodika

298

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

6

Strana od-do

429-434

Kód UT WoS článku

000324546100054

EID výsledku v databázi Scopus

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