About: NMR, FTIR and DFT study of the interaction of the benzoate anion with meso-octamethylcalix[4]pyrrole

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Description	Benzoate anion forms a strong complex with meso-octamethylcalix[4]pyrrole in nitrobenzene with the stabilization constant K = 3.88 x 10(5) mol(-1) L-1 at 298 K. According to NMR and FTIR spectra and DFT calculations, the benzoate anion is symmetrically bound by two pairs of hydrogen bonds to its oxygen atoms. The bound anion is prone to fast exchange with a free anion of the same kind, the exchange correlation time being 4.93 x 10(-5) s at 298 K. (C) 2013 Elsevier B. V. All rights reserved. Benzoate anion forms a strong complex with meso-octamethylcalix[4]pyrrole in nitrobenzene with the stabilization constant K = 3.88 x 10(5) mol(-1) L-1 at 298 K. According to NMR and FTIR spectra and DFT calculations, the benzoate anion is symmetrically bound by two pairs of hydrogen bonds to its oxygen atoms. The bound anion is prone to fast exchange with a free anion of the same kind, the exchange correlation time being 4.93 x 10(-5) s at 298 K. (C) 2013 Elsevier B. V. All rights reserved. (en)
Title	NMR, FTIR and DFT study of the interaction of the benzoate anion with meso-octamethylcalix[4]pyrrole NMR, FTIR and DFT study of the interaction of the benzoate anion with meso-octamethylcalix[4]pyrrole (en)
skos:prefLabel	NMR, FTIR and DFT study of the interaction of the benzoate anion with meso-octamethylcalix[4]pyrrole NMR, FTIR and DFT study of the interaction of the benzoate anion with meso-octamethylcalix[4]pyrrole (en)
skos:notation	RIV/60460709:41330/13:61001!RIV14-MSM-41330___
http://linked.open...avai/riv/aktivita	I P S Z
http://linked.open...avai/riv/aktivity	I, P(GA203/09/1478), S, Z(AV0Z40500505), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	561
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Makrlík, Emanuel
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	Česká zemědělská univerzita v Praze / Fakulta životního prostředí
http://linked.open...dnocenehoVysledku	91850
http://linked.open...ai/riv/idVysledku	RIV/60460709:41330/13:61001
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ION-PAIR RECEPTOR, EXPANDED PORPHYRIN, CESIUM NITRATE, 1,3-ALTERNATE CONFORMATION, CRYSTAL-STRUCTURES, EXTRACTION, SAPPHYRIN, BINDING, 1,2-DICHLOROETHANE, CALIXCROWNS (en)
http://linked.open.../riv/klicoveSlovo	2-DICHLOROETHANE 3-ALTERNATE CONFORMATION CALIXCROWNS CESIUM NITRATE EXPANDED PORPHYRIN ION-PAIR RECEPTOR SAPPHYRIN BINDING EXTRACTION 1 CRYSTAL-STRUCTURES
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[9D581E3E4AF6]
http://linked.open...i/riv/nazevZdroje	CHEMICAL PHYSICS LETTERS
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Poloxamers and their modification – micelisation and gelation mechanism
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	2013
http://linked.open...iv/tvurceVysledku	Kašička, Václav Kříž, Jaroslav Makrlík, Emanuel Sedláková, Zdeňka
http://linked.open...ain/vavai/riv/wos	000315279600007
http://linked.open...n/vavai/riv/zamer	Progresivní makromolekulární materiály a supramolekulární systémy: syntéza a studium vlastností, jevů a možností využití pro speciální aplikace a moderní technologie Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	0009-2614
number of pages	4 (xsd:int)
http://localhost/t...ganizacniJednotka	41330

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