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Complexation of Eu3 with a macrocyclic lactam receptor: Experimental and theoretical study

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F13%3A43895016" target="_blank" >RIV/60461373:22340/13:43895016 - isvavai.cz</a>

  • Alternative codes found

    RIV/61388955:_____/13:00398198 RIV/61389013:_____/13:00398198 RIV/60460709:41330/13:60907

  • Result on the web

    <a href="http://dx.doi.org/10.1016/j.molstruc.2013.01.032" target="_blank" >http://dx.doi.org/10.1016/j.molstruc.2013.01.032</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.molstruc.2013.01.032" target="_blank" >10.1016/j.molstruc.2013.01.032</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Complexation of Eu3 with a macrocyclic lactam receptor: Experimental and theoretical study

  • Original language description

    From extraction experiments and gama-activity measurements, the extraction constant corresponding to the equilibrium Eu3+(aq) + 3A?(aq) + 1 (nb) ? 1?Eu3+(nb) + 3A?(nb) taking place in the two-phase water-nitrobenzene system (A- = CF3SO3- ; 1 = macrocyclic lactam receptor - see Scheme 1; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (1?Eu3+, 3A?) = ?4.1 +- 0.1. Further, the stability constant of the 1?Eu3+ cationic complex in nitrobenzene saturated with water was calculated for atemperature of 25 °C: log betanb (1?Eu3+) = 9.0 +- 0.1. Finally, by using DFT calculations, the most probable structure of the cationic complex species 1?Eu3+ was derived. In the resulting 1?Eu3+ complex, the "central" cation Eu3+ is bound by five bond interactions to two ethereal oxygen atoms and two carbonyl oxygens, as well as to one carbon atom of the corresponding benzene ring of the parent macrocyclic lactam receptor 1 via cation-pí interaction.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CB - Analytical chemistry, separation

  • OECD FORD branch

Result continuities

  • Project

  • Continuities

    S - Specificky vyzkum na vysokych skolach

Others

  • Publication year

    2013

  • 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

  • Volume of the periodical

    1038

  • Issue of the periodical within the volume

    není

  • Country of publishing house

    NL - THE KINGDOM OF THE NETHERLANDS

  • Number of pages

    4

  • Pages from-to

    216-219

  • UT code for WoS article

    000316509200029

  • EID of the result in the Scopus database