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

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F13%3A00396233" target="_blank" >RIV/61388963:_____/13:00396233 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1002/chem.201302133" target="_blank" >http://dx.doi.org/10.1002/chem.201302133</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/chem.201302133" target="_blank" >10.1002/chem.201302133</a>

Result language

angličtina

Original language name

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

Original language 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.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CC - Organic chemistry

OECD FORD branch

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Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2013

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Chemistry - A European Journal

ISSN

0947-6539

e-ISSN

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Volume of the periodical

19

Issue of the periodical within the volume

35

Country of publishing house

DE - GERMANY

Number of pages

6

Pages from-to

11496-11501

UT code for WoS article

000323196500008

EID of the result in the Scopus database

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