Extraction and DFT Study on the Complexation of the TRIS+ Cation with a Hexaarylbenzene-Based Receptor

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60460709%3A41330%2F12%3A60029" target="_blank" >RIV/60460709:41330/12:60029 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61389013:_____/12:00389039 RIV/60461373:22340/12:43893884

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Extraction and DFT Study on the Complexation of the TRIS+ Cation with a Hexaarylbenzene-Based Receptor

Popis výsledku v původním jazyce

From extraction experiments and gamma-activity measurements, the exchange extraction constant corresponding to the equilibrium TRIS+(aq) + 1 center dot Cs+(nb) double left right arrow 1 center dot TRIS+(nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system (TRIS+ = (HOCH2)(3)C-NH3+, 1 = hexaarylbenzene - based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K-ex(TRIS+, 1 center dot Cs+) = -2.0 +/- 0.1. Further, the stability constant of the hexaarylbenzene - based receptor center dot TRIS+ complex (abbrev. 1 center dot TRIS+) in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C : log beta(nb) (1 center dot TRIS+) = 6.0 +/- 0.2. By using quantum mechanical calculations, the most probable structure of the 1 center dot TRIS+ complex species was solved. In this complex having C-3 symmetry, the cation TRIS+ synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene botto

Název v anglickém jazyce

Extraction and DFT Study on the Complexation of the TRIS+ Cation with a Hexaarylbenzene-Based Receptor

Popis výsledku anglicky

From extraction experiments and gamma-activity measurements, the exchange extraction constant corresponding to the equilibrium TRIS+(aq) + 1 center dot Cs+(nb) double left right arrow 1 center dot TRIS+(nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system (TRIS+ = (HOCH2)(3)C-NH3+, 1 = hexaarylbenzene - based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K-ex(TRIS+, 1 center dot Cs+) = -2.0 +/- 0.1. Further, the stability constant of the hexaarylbenzene - based receptor center dot TRIS+ complex (abbrev. 1 center dot TRIS+) in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C : log beta(nb) (1 center dot TRIS+) = 6.0 +/- 0.2. By using quantum mechanical calculations, the most probable structure of the 1 center dot TRIS+ complex species was solved. In this complex having C-3 symmetry, the cation TRIS+ synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene botto

Druh

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

CEP obor

CC - Organická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/GAP205%2F10%2F2280" target="_blank" >GAP205/10/2280: Fotogenerace a transport náboje v molekulárních polovodičích pro organickou fotovoltaiku</a><br>

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2012

Kód důvěrnosti údajů

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

Název periodika

ACTA CHIMICA SLOVENICA

ISSN

1318-0207

e-ISSN

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Svazek periodika

59

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

CZ - Česká republika

Počet stran výsledku

5

Strana od-do

944-948

Kód UT WoS článku

000313199100029

EID výsledku v databázi Scopus

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