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

0482760 - ÚFCH JH 2018 RIV NL eng J - Journal Article
Polášek, Miroslav - Makrlík, E. - Kvíčala, J. - Křížová, Věra - Vaňura, P.
Interaction of the cesium cation with meso-octamethylcalix[4]pyrrole: Experimental and theoretical study.
Chemical Physics Letters. Roč. 670, FEB 2017 (2017), s. 22-26. ISSN 0009-2614. E-ISSN 1873-4448
Grant - others:GA MŠk(CZ) 20/2015; GA MŠk(CZ) LM2010005
Institutional support: RVO:61388955
Keywords : Aromatic compounds * Cesium * Electrospray ionization
OECD category: Physical chemistry
Impact factor: 1.686, year: 2017

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.
Permanent Link: http://hdl.handle.net/11104/0278134