Molecular Structure of a Surface Superoxide Radical Anion on MgO

Nurbosyn U. Zhanpeisov, Georgii M. Zhidomirov

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

Using the MINDO/3 method the coadsorption of dihydrogen and dioxygen molecules on dehydroxylated magnesium oxide is considered and a molecular model for the adsorbed superoxide radical anion O2 is proposed on the basis of the results obtained; both the optimized geometrical characteristics and the calculated set of hyperfine coupling tensor (B) data are in good agreement with the experimental set.

Original languageEnglish
Pages (from-to)111-113
Number of pages3
JournalMendeleev Communications
Volume2
Issue number3
DOIs
Publication statusPublished - 1992 Jan 1
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)

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