. "Experiment\u00E1ln\u00ED d\u016Fkaz neobvykl\u00E9 protonizace tetraethyl p-terc-butylkalix[4]aren tetraacet\u00E1tu a nejpravd\u011Bpodobn\u011Bj\u0161\u00ED struktura vznikl\u00E9ho komplexu"@cs . "Experimental evidence for unusual protonation of tetraethyl p-tert-butylcalix[4]arene tetraacetate and the most probable structure of the resulting complex"@en . "367187" . "Using H-1 and C-13 NMR, FT IR spectroscopy together with quantum mechanical DFT calculations, we show that tetraethyl p-tert-butylcalix[4]arene tetraacetate (1) forms a stable equimolecular complex with proton in the form of hydroxonium ion in acetonitrile-d(3). Protons for this complex were offered by hydrogen bis(1,2-dicarbollyl) cobaltate (HDCC) and converted to hydroxonium ions by traces of water. The complex 1.H3O+ adopts a slightly asymmetric conformation, which is distinctly more cone-like than ligand 1. According to spectral evidence, the hydroxonium ion H3O+ is bound mainly to three of the phenoxy oxygen atoms of 1 by strong hydrogen bonds leaving the ester carbonyl groups, which are the usual coordination site for metal cations, free. Theoretical DFT calculations support the bonding to phenoxy oxygen atoms but slightly prefer a structure with one of the carbonyls being involved in the coordination." . "Experimental evidence for unusual protonation of tetraethyl p-tert-butylcalix[4]arene tetraacetate and the most probable structure of the resulting complex"@en . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . . "Supramolecular Chemistry" . "000255373200006" . "Makrl\u00EDk, E." . . "Pomoc\u00ED 1H a 13C NMR, FT I\u010C spektroskopie spolu kvantov\u011B mechanick\u00FDm DFT v\u00FDpo\u010Dtem byla prok\u00E1z\u00E1na tvorba komplexu iontu H3O+ s tetraethyl p-terc-butylkalix[4]aren tetraacet\u00E1tem a zji\u0161t\u011Bna jeho struktura"@cs . . . "Experimental evidence for unusual protonation of tetraethyl p-tert-butylcalix[4]arene tetraacetate and the most probable structure of the resulting complex" . "22340" . "4"^^ . "RIV/60461373:22340/08:00020706!RIV09-MSM-22340___" . "RIV/60461373:22340/08:00020706" . . "20" . . . "Va\u0148ura, Petr" . . . "1"^^ . "1061-0278" . "Using H-1 and C-13 NMR, FT IR spectroscopy together with quantum mechanical DFT calculations, we show that tetraethyl p-tert-butylcalix[4]arene tetraacetate (1) forms a stable equimolecular complex with proton in the form of hydroxonium ion in acetonitrile-d(3). Protons for this complex were offered by hydrogen bis(1,2-dicarbollyl) cobaltate (HDCC) and converted to hydroxonium ions by traces of water. The complex 1.H3O+ adopts a slightly asymmetric conformation, which is distinctly more cone-like than ligand 1. According to spectral evidence, the hydroxonium ion H3O+ is bound mainly to three of the phenoxy oxygen atoms of 1 by strong hydrogen bonds leaving the ester carbonyl groups, which are the usual coordination site for metal cations, free. Theoretical DFT calculations support the bonding to phenoxy oxygen atoms but slightly prefer a structure with one of the carbonyls being involved in the coordination."@en . . "Dybal, J." . "calixarene complex; protonation; NMR; DFT"@en . . . . "Experiment\u00E1ln\u00ED d\u016Fkaz neobvykl\u00E9 protonizace tetraethyl p-terc-butylkalix[4]aren tetraacet\u00E1tu a nejpravd\u011Bpodobn\u011Bj\u0161\u00ED struktura vznikl\u00E9ho komplexu"@cs . . "[449F05A92E7C]" . "4" . "Z(MSM4977751303), Z(MSM6046137307)" . . . "K\u0159\u00ED\u017E, J." . "9"^^ . "Experimental evidence for unusual protonation of tetraethyl p-tert-butylcalix[4]arene tetraacetate and the most probable structure of the resulting complex" .