About: Thermal Methane Activation by a Binary V-Nb Transition-Metal Oxide Cluster Cation: A Further Example for the Crucial Role of Oxygen-Centered Radicals

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About: Thermal Methane Activation by a Binary V-Nb Transition-Metal Oxide Cluster Cation: A Further Example for the Crucial Role of Oxygen-Centered Radicals Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	In conclusion, we produced the open-shell transition-metal BOC VNbO5.+, which brings about thermal activation of CH4. Theoretical results indicate that the transition-metal BOC cation VNbO5.+ exhibits many similarities with the homonuclear metal oxides M2O5.+ (M=V or Nb) and abstracts a hydrogen atom from methane to produce a CH3 radical at room temperature. While different isomers of VNbO5.+ might correspond to the reactive species, all of them possess an oxygen-centered radical as a reactive site, regardless whether the unpaired electron is localized at the terminal oxygen atom of a VOtOt. or a NbOtOt. moiety, respectively. In conclusion, we produced the open-shell transition-metal BOC VNbO5.+, which brings about thermal activation of CH4. Theoretical results indicate that the transition-metal BOC cation VNbO5.+ exhibits many similarities with the homonuclear metal oxides M2O5.+ (M=V or Nb) and abstracts a hydrogen atom from methane to produce a CH3 radical at room temperature. While different isomers of VNbO5.+ might correspond to the reactive species, all of them possess an oxygen-centered radical as a reactive site, regardless whether the unpaired electron is localized at the terminal oxygen atom of a VOtOt. or a NbOtOt. moiety, respectively. (en)
Title	Thermal Methane Activation by a Binary V-Nb Transition-Metal Oxide Cluster Cation: A Further Example for the Crucial Role of Oxygen-Centered Radicals Thermal Methane Activation by a Binary V-Nb Transition-Metal Oxide Cluster Cation: A Further Example for the Crucial Role of Oxygen-Centered Radicals (en)
skos:prefLabel	Thermal Methane Activation by a Binary V-Nb Transition-Metal Oxide Cluster Cation: A Further Example for the Crucial Role of Oxygen-Centered Radicals Thermal Methane Activation by a Binary V-Nb Transition-Metal Oxide Cluster Cation: A Further Example for the Crucial Role of Oxygen-Centered Radicals (en)
skos:notation	RIV/61388963:_____/13:00396233!RIV14-AV0-61388963
http://linked.open...avai/predkladatel	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...avai/riv/aktivita	I
http://linked.open...avai/riv/aktivity	I
http://linked.open...iv/cisloPeriodika	35
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Schröder, Detlef
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	110905
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/13:00396233
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	binary oxide cluster; density functional calculations; mass spectrometry; methane activation; radical ions (en)
http://linked.open.../riv/klicoveSlovo	mass spectrometry radical ions binary oxide cluster methane activation density functional calculations
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[9BA74014A7B0]
http://linked.open...i/riv/nazevZdroje	Chemistry - A European Journal
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	19
http://linked.open...iv/tvurceVysledku	Schröder, Detlef Schwarz, H. Liu, J. W. Sauer, J. Schlangen, M. Wang, Z. C. Weiske, T.
http://linked.open...ain/vavai/riv/wos	000323196500008
issn	0947-6539
number of pages	6 (xsd:int)
http://bibframe.org/vocab/doi	10.1002/chem.201302133

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