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Theoretical study on the complexation of the sodium cation with a hexaarylbenzene-based receptor

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    SYSNO ASEP0350519
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JČlánek ve WOS
    TitleTheoretical study on the complexation of the sodium cation with a hexaarylbenzene-based receptor
    Author(s) Toman, Petr (UMCH-V) RID, ORCID
    Makrlík, E. (CZ)
    Vaňura, P. (CZ)
    Kašička, Václav (UOCHB-X) RID, ORCID
    Rathore, R. (US)
    Source TitleMonatshefte fur Chemie. - : Springer - ISSN 0026-9247
    Roč. 141, č. 12 (2010), s. 1309-1311
    Number of pages3 s.
    Languageeng - English
    CountryAT - Austria
    Keywordsreceptors ; macrocycles ; compexation
    Subject RIVBM - Solid Matter Physics ; Magnetism
    R&D ProjectsGAP205/10/2280 GA ČR - Czech Science Foundation (CSF)
    CEZAV0Z40500505 - UMCH-V (2005-2011)
    AV0Z40550506 - UOCHB-X (2005-2011)
    UT WOS000284160900006
    DOI10.1007/s00706-010-0400-7
    AnnotationBy means of quantum chemical DFT calculations, the complex structure of a hexaarylbenzene-based receptor with Na+ was derived. In the resulting complex having C3 symmetry, the sodium cation synergistically interacts with the hydrophilic polar ethereal oxygen fence and with the central hydrophobic benzene bottom of the parent receptor via cation–.pi. interaction.
    WorkplaceInstitute of Macromolecular Chemistry
    ContactEva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358
    Year of Publishing2011
Number of the records: 1  

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