About: Protonation of electroneutral p-tert-butylcalix[4]arenetetraacetic acid

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Using 1H NMR spectroscopy together with density functional theoretical calculations, it is shown that electroneutral p-tert-butylcalix[4]arenetetraacetic acid forms an equimolar complex with a proton in the form of the H3O+ ion in nitrobenzene-d5. Protons were offered by hydrogen bis(1,2-dicarbollyl)cobaltate and converted to hydroxonium ions by traces of water. In the resulting complex, the H3O+ cation is bound by strong hydrogen bonds to two phenoxy oxygen atoms of the parent calix[4]arene ligand and to one carbonyl oxygen of the corresponding COOH group of this ligand. Using 1H NMR spectroscopy together with density functional theoretical calculations, it is shown that electroneutral p-tert-butylcalix[4]arenetetraacetic acid forms an equimolar complex with a proton in the form of the H3O+ ion in nitrobenzene-d5. Protons were offered by hydrogen bis(1,2-dicarbollyl)cobaltate and converted to hydroxonium ions by traces of water. In the resulting complex, the H3O+ cation is bound by strong hydrogen bonds to two phenoxy oxygen atoms of the parent calix[4]arene ligand and to one carbonyl oxygen of the corresponding COOH group of this ligand. (en)
Title	Protonation of electroneutral p-tert-butylcalix[4]arenetetraacetic acid Protonation of electroneutral p-tert-butylcalix[4]arenetetraacetic acid (en)
skos:prefLabel	Protonation of electroneutral p-tert-butylcalix[4]arenetetraacetic acid Protonation of electroneutral p-tert-butylcalix[4]arenetetraacetic acid (en)
skos:notation	RIV/60461373:22310/10:00023063!RIV11-MSM-22310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(1ET400500402), Z(AV0Z40500505), Z(MSM4977751303), Z(MSM6046137301), Z(MSM6046137307)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Budka, Jan Vaňura, Petr
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	283105
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/10:00023063
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Calixarenes Macrocycles Protonation Ab initio calculations Complex structure (en)
http://linked.open.../riv/klicoveSlovo	Calixarenes Macrocycles Protonation Ab initio calculations Complex structure
http://linked.open...odStatuVydavatele	AT - Rakouská republika
http://linked.open...ontrolniKodProRIV	[E255F96DA625]
http://linked.open...i/riv/nazevZdroje	Monatsh.Chem.
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Computer modelling of chmical structures for the design of macromolecular systems with new biological, mechanical and electronic properties
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	141
http://linked.open...iv/tvurceVysledku	Budka, Jan Dybal, Jiří Kříž, Jaroslav Makrlík, Emanuel Vaňura, Petr
http://linked.open...ain/vavai/riv/wos	000273980200004
http://linked.open...n/vavai/riv/zamer	Catalytic processes in chemistry and chemical technology Progresivní makromolekulární materiály a supramolekulární systémy: syntéza a studium vlastností, jevů a možností využití pro speciální aplikace a moderní technologie Predikce poruch heterogenních materiálů, komponent mechanických a biomechanických systémů. Physico-chemical methods of analysis and characterization of chemical systems and biosystems
issn	0026-9247
number of pages	4 (xsd:int)
http://localhost/t...ganizacniJednotka	22310
is http://linked.open...avai/riv/vysledek of	Protonation of electroneutral p-tert-butylcalix[4]arenetetraacetic acid Protonation of electroneutral p-tert-butylcalix[4]arenetetraacetic acid Protonation of electroneutral p-tert-butylcalix[4]arenetetraacetic acid

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