About: Nature of the Cu+ -NO bond in the gas phase and at different types of Cu+ sites in zeolite catalysts

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

About: Nature of the Cu+ -NO bond in the gas phase and at different types of Cu+ sites in zeolite catalysts 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 activation of Cu+ ions for NO binding by the zeolite %22ligand%22 is analyzed. Density functional theory (DFT) calculations show that the interaction of NO with isolated Cu+ ions and with Cu+ions in zeolites is of different character. EPR hyperfine coupling constants (HFCC) were calculated and compared with experiment. The isotropic component of HFCC strongly depends on CuNO angle, but due to small variations of this angle, it will be difficult to resolve EPR signals (or other spectroscopic signals) for different sites The activation of Cu+ ions for NO binding by the zeolite %22ligand%22 is analyzed. Density functional theory (DFT) calculations show that the interaction of NO with isolated Cu+ ions and with Cu+ions in zeolites is of different character. EPR hyperfine coupling constants (HFCC) were calculated and compared with experiment. The isotropic component of HFCC strongly depends on CuNO angle, but due to small variations of this angle, it will be difficult to resolve EPR signals (or other spectroscopic signals) for different sites (en) Byla analyzována aktivace iontů Cu+ pro vazbu NO v důsledku interakce mezi Cu+ a zeolitem. Na zákaldě DFT výpočtů bylo ukázáno, že povaha vazby mezi Cu+ a NO je jiná pro plynnou částici a pro iont v mimomřížkové pozici v zeolitech. Byly vypočteny EPR konstanty hyperjemného štěpení a srovnány s experimentálními daty. Isotropická komponenta silně závisí na CuNO úhlu. Vzhledem k tomu je velice obtížné rozlišit EPR spektra a přiřadit je jednostlivým typům pozic mědi (cs)
Title	Nature of the Cu+ -NO bond in the gas phase and at different types of Cu+ sites in zeolite catalysts Povaha vazby mezi NO a Cu+ v plynné fázi a v rozličných Cu+ pozicích v zeolitech (cs) Nature of the Cu+ -NO bond in the gas phase and at different types of Cu+ sites in zeolite catalysts (en)
skos:prefLabel	Nature of the Cu+ -NO bond in the gas phase and at different types of Cu+ sites in zeolite catalysts Povaha vazby mezi NO a Cu+ v plynné fázi a v rozličných Cu+ pozicích v zeolitech (cs) Nature of the Cu+ -NO bond in the gas phase and at different types of Cu+ sites in zeolite catalysts (en)
skos:notation	RIV/61388963:_____/04:00100890!RIV/2005/MSM/A57005/N
http://linked.open.../vavai/riv/strany	13674;13682
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LN00A032), Z(AV0Z4055905)
http://linked.open...iv/cisloPeriodika	-
http://linked.open...vai/riv/dodaniDat	2005
http://linked.open...aciTvurceVysledku	Nachtigall, Petr Nachtigallová, Dana
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 organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	575488
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/04:00100890
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	HFCC calculations;zeolite;NO (en)
http://linked.open.../riv/klicoveSlovo	NO zeolite HFCC calculations
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[04CC78927D82]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry B
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and dynamics of complex molecular systems and biomolecules
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	108
http://linked.open...iv/tvurceVysledku	Nachtigall, Petr Nachtigallová, Dana Davidová, M.
http://linked.open...n/vavai/riv/zamer	Chemical principles of selected biological phenomena in medicine and ecology
issn	1520-6106
number of pages	9 (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