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Extraction and DFT study on the complexation of the methylammonium cation with a hexaarylbenzene-based receptor

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F13%3A43895874" target="_blank" >RIV/60461373:22340/13:43895874 - isvavai.cz</a>

  • Alternative codes found

    RIV/60460709:41330/13:63624

  • Result on the web

    <a href="http://link.springer.com/article/10.1007%2Fs10967-013-2472-4" target="_blank" >http://link.springer.com/article/10.1007%2Fs10967-013-2472-4</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1007/s10967-013-2472-4" target="_blank" >10.1007/s10967-013-2472-4</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Extraction and DFT study on the complexation of the methylammonium cation with a hexaarylbenzene-based receptor

  • Original language description

    From extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium CH3NH3 (+)(aq) + 1 center dot Cs+(nb) a double dagger" 1 center dot CH3NH3 (+)(nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system (1 = hexaarylbenzene-based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K (ex) (CH3NH3 (+), 1 center dot Cs+) = -0.4 +/- A 0.1. Further, the stability constant of the 1 center dot CH3NH3 (+) complex in nitrobenzene saturated with water was calculated for a temperature of 25 A degrees C: log beta (nb) (1 center dot CH3NH3 (+)) = 5.2 +/- A 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structures A and B of the 1 center dot CH3NH3(+) cationic complex species, which are obviously in a dynamic equilibrium, were indicated. In both of these structures of the resulting complex 1 center dot CH3NH3 (+), the cation CH3NH3 (+) synergistically interacts with the polar ether

  • 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 Radioanalytical and Nuclear Chemistry

  • ISSN

    0236-5731

  • e-ISSN

  • Volume of the periodical

    298

  • Issue of the periodical within the volume

    2

  • Country of publishing house

    DE - GERMANY

  • Number of pages

    5

  • Pages from-to

    775-779

  • UT code for WoS article

    000325624300006

  • EID of the result in the Scopus database