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

Result code in 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>
Alternative codes found
RIV/60460709:41330/17:74569 RIV/60461373:22810/17:43903847
Result on the web
<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>

Result language
angličtina
Original language name
Experimental and theoretical study on complexation of the lithium cation with [Gly(6)]-antamanide
Original language description
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' 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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10406 - Analytical chemistry

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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