NDLI: Formation of Superoxo Species by Interaction of $O_{2}$ with Na Atoms Deposited on MgO Powders: A Combined Continuous-Wave EPR (CW-EPR), Hyperfine Sublevel Correlation (HYSCORE) and DFT Study

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Formation of Superoxo Species by Interaction of $O_{2}$ with Na Atoms Deposited on MgO Powders: A Combined Continuous-Wave EPR (CW-EPR), Hyperfine Sublevel Correlation (HYSCORE) and DFT Study

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Formation of Superoxo Species by Interaction of $O_{2}$ with Na Atoms Deposited on MgO Powders: A Combined Continuous-Wave EPR (CW-EPR), Hyperfine Sublevel Correlation (HYSCORE) and DFT Study

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Napoli, Francesco Pacchioni, Gianfranco Preda, Gloria Di Valentin, Cristiana Chiesa, Mario Giamello, Elio
Description	Author Affiliation: Napoli F ( Dipartimento di Chimica IFM, Università di Torino and NIS, Nanostructured Interfaces and Surfaces Centre of Excellence, Via P. Giuria 7, I - 10125 Torino, Italy.)
Abstract	The formation of $O_{2}^{−}$ radical anions by contact of $O_{2}$ molecules with a Na pre-covered MgO surface is studied by a combined EPR and quantum chemical approach. Na atoms deposited on polycrystalline MgO samples are brought into contact with $O_{2}.$ The typical EPR signal of isolated Na atoms disappears when the reaction with $O_{2}$ takes place and new paramagnetic species are observed, which are attributed to different surface-stabilised $O_{2}^{−}$ radicals. Hyperfine sublevel correlation (HYSCORE) spectroscopy allows the superhyperfine interaction tensor of $O_{2}^{−}Na^{+}$ species to be determined, demonstrating the direct coordination of the $O_{2}^{−}$ adsorbate to surface $Na^{+}$ cations. DFT calculations enable the structural details of the formed species to be determined. Matrix-isolated alkali superoxides are used as a standard to enable comparison of the formed species, revealing important and unexpected contributions of the MgO matrix in determining the electronic structure of the surface-stabilised $Na^{+}O_{2}^{−}$ complexes.
ISSN	09476539
e-ISSN	15213765
Journal	Chemistry - A European Journal
Issue Number	23
Volume Number	16
Language	English
Publisher	Wiley-VCH;ChemPubSoc Europe
Publisher Date	2010-06-18
Publisher Place	Germany
Access Restriction	Open
Subject Keyword	Chemistry
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Catalysis

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