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Interaction of the cesium cation with meso-octamethylcalix[4]pyrrole: Experimental and theoretical study
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SYSNO ASEP 0482760 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Interaction 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 Title Chemical Physics Letters. - : Elsevier - ISSN 0009-2614
Roč. 670, FEB 2017 (2017), s. 22-26Number of pages 5 s. Language eng - English Country NL - Netherlands Keywords Aromatic compounds ; Cesium ; Electrospray ionization Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry Institutional support UFCH-W - RVO:61388955 UT WOS 000393721900005 EID SCOPUS 85008481848 DOI https://doi.org/10.1016/j.cplett.2016.12.044 Annotation By 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. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2018
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