About: Experimental and DFT study on the complexation of NH4+ with a hexaarylbenzene-based receptor

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Experimental and DFT study on the complexation of NH4+ with a hexaarylbenzene-based receptor Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The stability constant of the complex of hexaarylbenzene (HAB) - based receptor and ammonium cation in nitrobenzene saturated with water was determined from extraction experiments and gamma-activity measurements. Further, using quantum chemical DFT calculations, two most probable structures of the studied complex species, which are obviously in a dynamic equilibrium, were indicated. In both of these structures of the resulting complex, having C_3 symmetry, the ammonium cation synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene bottom via cation-pi interaction. The stability constant of the complex of hexaarylbenzene (HAB) - based receptor and ammonium cation in nitrobenzene saturated with water was determined from extraction experiments and gamma-activity measurements. Further, using quantum chemical DFT calculations, two most probable structures of the studied complex species, which are obviously in a dynamic equilibrium, were indicated. In both of these structures of the resulting complex, having C_3 symmetry, the ammonium cation synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene bottom via cation-pi interaction. (en)
Title	Experimental and DFT study on the complexation of NH4+ with a hexaarylbenzene-based receptor Experimental and DFT study on the complexation of NH4+ with a hexaarylbenzene-based receptor (en)
skos:prefLabel	Experimental and DFT study on the complexation of NH4+ with a hexaarylbenzene-based receptor Experimental and DFT study on the complexation of NH4+ with a hexaarylbenzene-based receptor (en)
skos:notation	RIV/61389013:_____/10:00346358!RIV11-GA0-61389013
http://linked.open...avai/riv/aktivita	P S Z
http://linked.open...avai/riv/aktivity	P(GAP205/10/2280), S, Z(AV0Z40500505), Z(MSM4977751303)
http://linked.open...iv/cisloPeriodika	1-3
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Toman, 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	Ústav makromolekulární chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	258244
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/10:00346358
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	extraction; DFT; complexation (en)
http://linked.open.../riv/klicoveSlovo	extraction DFT complexation
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[506584DAA3F5]
http://linked.open...i/riv/nazevZdroje	Journal of Molecular Structure
http://linked.open...in/vavai/riv/obor	CD
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Photogeneration and charge transport in molecular semiconductors for organic photovoltaics
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	977
http://linked.open...iv/tvurceVysledku	Makrlík, E. Rathore, R. Toman, Petr Vaňura, P. Selucký, P.
http://linked.open...ain/vavai/riv/wos	000280498600035
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 Predikce poruch heterogenních materiálů, komponent mechanických a biomechanických systémů.
issn	0022-2860
number of pages	4 (xsd:int)

Faceted Search & Find service v1.16.118 as of Jun 21 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 36 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software