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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F13%3A00396233%21RIV14-AV0-61388963
rdf:type
skos:Concept n6:Vysledek
dcterms: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.
dcterms: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
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
skos:notation
RIV/61388963:_____/13:00396233!RIV14-AV0-61388963
n6:predkladatel
n7:ico%3A61388963
n5:aktivita
n15:I
n5:aktivity
I
n5:cisloPeriodika
35
n5:dodaniDat
n12:2014
n5:domaciTvurceVysledku
Schröder, Detlef
n5:druhVysledku
n16:J
n5:duvernostUdaju
n17:S
n5:entitaPredkladatele
n11:predkladatel
n5:idSjednocenehoVysledku
110905
n5:idVysledku
RIV/61388963:_____/13:00396233
n5:jazykVysledku
n9:eng
n5:klicovaSlova
binary oxide cluster; density functional calculations; mass spectrometry; methane activation; radical ions
n5:klicoveSlovo
n8:mass%20spectrometry n8:radical%20ions n8:methane%20activation n8:binary%20oxide%20cluster n8:density%20functional%20calculations
n5:kodStatuVydavatele
DE - Spolková republika Německo
n5:kontrolniKodProRIV
[9BA74014A7B0]
n5:nazevZdroje
Chemistry - A European Journal
n5:obor
n13:CC
n5:pocetDomacichTvurcuVysledku
1
n5:pocetTvurcuVysledku
7
n5:rokUplatneniVysledku
n12:2013
n5:svazekPeriodika
19
n5:tvurceVysledku
Schröder, Detlef Sauer, J. Wang, Z. C. Schwarz, H. Weiske, T. Liu, J. W. Schlangen, M.
n5:wos
000323196500008
s:issn
0947-6539
s:numberOfPages
6
n14:doi
10.1002/chem.201302133