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Interaction of the cesium cation with meso-octamethylcalix[4]pyrrole: Experimental and theoretical study

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    SYSNO ASEP0482760
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JČlánek ve WOS
    TitleInteraction of the cesium cation with meso-octamethylcalix[4]pyrrole: Experimental and theoretical study
    Author(s) Polášek, Miroslav (UFCH-W) RID, ORCID
    Makrlík, E. (CZ)
    Kvíčala, J. (CZ)
    Křížová, Věra (UFCH-W)
    Vaňura, P. (CZ)
    Source TitleChemical Physics Letters. - : Elsevier - ISSN 0009-2614
    Roč. 670, FEB 2017 (2017), s. 22-26
    Number of pages5 s.
    Languageeng - English
    CountryNL - Netherlands
    KeywordsAromatic compounds ; Cesium ; Electrospray ionization
    Subject RIVCF - Physical ; Theoretical Chemistry
    OECD categoryPhysical chemistry
    Institutional supportUFCH-W - RVO:61388955
    UT WOS000393721900005
    EID SCOPUS85008481848
    DOI https://doi.org/10.1016/j.cplett.2016.12.044
    AnnotationBy using electrospray ionization mass spectrometry (ESI-MS), it was proven experimentally that the univalent cesium cation (Cs+) forms with meso-octamethylcalix[4]pyrrole (abbrev. 1) the cationic complex species 1.Cs+. Further, applying quantum chemical DFT calculations, four different conformations of the resulting complex 1.Cs+ were derived. It means that under the present experimental conditions, this ligand 1 can be considered as a macrocyclic receptor for the cesium cation.
    WorkplaceJ. Heyrovsky Institute of Physical Chemistry
    ContactMichaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
    Year of Publishing2018
Number of the records: 1  

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