Experimental and theoretical study on interaction of the barium cation with antamanide
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F14%3A43897070" target="_blank" >RIV/60461373:22340/14:43897070 - isvavai.cz</a>
Alternative codes found
RIV/60460709:41330/14:64645 RIV/60461373:22810/14:43897070
Result on the web
<a href="http://dx.doi.org/10.1016/j.molstruc.2014.02.009" target="_blank" >http://dx.doi.org/10.1016/j.molstruc.2014.02.009</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molstruc.2014.02.009" target="_blank" >10.1016/j.molstruc.2014.02.009</a>
Alternative languages
Result language
angličtina
Original language name
Experimental and theoretical study on interaction of the barium cation with antamanide
Original language description
By using extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Ba2+(aq) + 1.Sr2+(nb) reversible arrow 1.Ba2+(nb) + Sr2+(aq) occurring in the two-phase water-nitrobenzene system (1 = antamanide; aq = aqueous phase, nb = nitrobenzene phase) was determined as logK(ex) (Ba2+, 1.Sr2+) = 0.2 0.1. Further, the stability constant of the 1.Ba2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb) (1.Ba2+) = 8.8 +/- 0.2. Finally, applying quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1.Ba2+ was derived. In the resulting complex, the "central" cation Ba2+ is bound by six bond interactions to the corresponding six carbonyl oxygen atoms of the parent ligand 1. The interaction energy of the considered 1.Ba2+ complex was found to be -964.9 kJ/mol, confirming the formation of this cationic species as well.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Molecular Structure
ISSN
0022-2860
e-ISSN
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Volume of the periodical
1065
Issue of the periodical within the volume
neuvedeno
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
4
Pages from-to
61-64
UT code for WoS article
000335806200009
EID of the result in the Scopus database
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