Experimental and theoretical study on complexation of the lithium cation with [Gly(6)]-antamanide

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F17%3A43903847" target="_blank" >RIV/60461373:22340/17:43903847 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60460709:41330/17:74569 RIV/60461373:22810/17:43903847

Výsledek na webu

<a href="http://www.tandfonline.com/doi/full/10.1080/00268976.2016.1274438" target="_blank" >http://www.tandfonline.com/doi/full/10.1080/00268976.2016.1274438</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/00268976.2016.1274438" target="_blank" >10.1080/00268976.2016.1274438</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Experimental and theoretical study on complexation of the lithium cation with [Gly(6)]-antamanide

Popis výsledku v původním jazyce

On the basis of extraction experiments and -activity measurements, the extraction constant corresponding to the equilibrium Li+(aq) + 1Na(+)(nb) 1Li(+) (nb) + Na+(aq) occurring in the two-phase water-nitrobenzene system (1= [Gly(6)]-antamanide; aq= aqueous phase, nb= nitrobenzene phase) was determined as logK(ex)(Li+,1Na(+))= 0.6 +/- 0.1. Further, the stability constant of the 1Li(+) complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log(nb)(1Li(+))= 5.8 +/- 0.2. Finally, by using quantum chemical calculations, the most probable structure of the cationic complex species 1Li(+) was derived. In the resulting complex, the central&apos; cation Li+ is bound by four bonding interactions to the corresponding four carbonyl oxygen atoms of the parent ligand 1. Besides, the whole 1Li(+) complex structure is stabilised by two intramolecular hydrogen bonds. The interaction energy of the considered 1Li(+) complex was found to be -553.5 kJ/mol, confirming also the formation of this cationic species.

Název v anglickém jazyce

Experimental and theoretical study on complexation of the lithium cation with [Gly(6)]-antamanide

Popis výsledku anglicky

On the basis of extraction experiments and -activity measurements, the extraction constant corresponding to the equilibrium Li+(aq) + 1Na(+)(nb) 1Li(+) (nb) + Na+(aq) occurring in the two-phase water-nitrobenzene system (1= [Gly(6)]-antamanide; aq= aqueous phase, nb= nitrobenzene phase) was determined as logK(ex)(Li+,1Na(+))= 0.6 +/- 0.1. Further, the stability constant of the 1Li(+) complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log(nb)(1Li(+))= 5.8 +/- 0.2. Finally, by using quantum chemical calculations, the most probable structure of the cationic complex species 1Li(+) was derived. In the resulting complex, the central&apos; cation Li+ is bound by four bonding interactions to the corresponding four carbonyl oxygen atoms of the parent ligand 1. Besides, the whole 1Li(+) complex structure is stabilised by two intramolecular hydrogen bonds. The interaction energy of the considered 1Li(+) complex was found to be -553.5 kJ/mol, confirming also the formation of this cationic species.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10406 - Analytical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Molecular Physics

ISSN

0026-8976

e-ISSN

—

Svazek periodika

115

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

7

Strana od-do

465-471

Kód UT WoS článku

000395070700009

EID výsledku v databázi Scopus

2-s2.0-85009816954