Solvent extraction of europium(III) trifluoromethanesulfonate into nitrobenzene by using [2.2.2]paracyclophane – Experimental and theoretical study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F21%3A43922010" target="_blank" >RIV/60461373:22340/21:43922010 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60461373:22810/21:43922010 RIV/60460709:41330/21:89934

Výsledek na webu

<a href="https://reader.elsevier.com/reader/sd/pii/S0167732221020043?token=336EB8300BBDD266533F91BD16E6E534906555D7A2760170C1F33BFF79CD0ACC6A58B131D442353D1836D12DB43A2A37&originRegion=eu-west-1&originCreation=20210830105045" target="_blank" >https://reader.elsevier.com/reader/sd/pii/S0167732221020043?token=336EB8300BBDD266533F91BD16E6E534906555D7A2760170C1F33BFF79CD0ACC6A58B131D442353D1836D12DB43A2A37&originRegion=eu-west-1&originCreation=20210830105045</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molliq.2021.117280" target="_blank" >10.1016/j.molliq.2021.117280</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Solvent extraction of europium(III) trifluoromethanesulfonate into nitrobenzene by using [2.2.2]paracyclophane – Experimental and theoretical study

Popis výsledku v původním jazyce

The extraction constant corresponding to the equilibrium Eu3+(aq) + 3A-(aq) + 1(nb) ⇌ 1 Eu3+(nb) + 3A–(nb) occurring in the two-phase water–nitrobenzene system (; 1 = [2.2.2]paracyclophane; aq = aqueous phase, nb = nitrobenzene phase) was determined as log Kex (Eu3+,3A–) = -5.7 ± 0.1. Further, the stability constant of the 1 Eu3+ complex in nitrobenzene saturated with water was calculated as log Knb (1 Eu3+) = 7.4 ± 0.1. Finally, by using quantum chemical calculations, the most probable conformation of the cationic complex species 1 Eu3+ was derived. In the resulting complex, the “central” cation Eu3+, fully located in the cavity of the parent [2.2.2]paracyclophane ligand, is bound to all three benzene rings of [2.2.2]paracyclophane via cation-π interaction.

Název v anglickém jazyce

Solvent extraction of europium(III) trifluoromethanesulfonate into nitrobenzene by using [2.2.2]paracyclophane – Experimental and theoretical study

Popis výsledku anglicky

The extraction constant corresponding to the equilibrium Eu3+(aq) + 3A-(aq) + 1(nb) ⇌ 1 Eu3+(nb) + 3A–(nb) occurring in the two-phase water–nitrobenzene system (; 1 = [2.2.2]paracyclophane; aq = aqueous phase, nb = nitrobenzene phase) was determined as log Kex (Eu3+,3A–) = -5.7 ± 0.1. Further, the stability constant of the 1 Eu3+ complex in nitrobenzene saturated with water was calculated as log Knb (1 Eu3+) = 7.4 ± 0.1. Finally, by using quantum chemical calculations, the most probable conformation of the cationic complex species 1 Eu3+ was derived. In the resulting complex, the “central” cation Eu3+, fully located in the cavity of the parent [2.2.2]paracyclophane ligand, is bound to all three benzene rings of [2.2.2]paracyclophane via cation-π interaction.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

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

Název periodika

Journal of Molecular Liquids

ISSN

0167-7322

e-ISSN

—

Svazek periodika

340

Číslo periodika v rámci svazku

15 October 2021

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

4

Strana od-do

117280

Kód UT WoS článku

000696603300121

EID výsledku v databázi Scopus

2-s2.0-85113304191