Quantum-Chemical Study of the Nature of Hydroxy Groups on an MgO Surface

Nurbosyn U. Zhanpeisov, Alexandr G. Pel’menshchikov, Georgii M. Zhidomirov

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

It has been shown that the O—H stretching frequencies of six kinds of hydroxy groups on MgO and their local structures, calculated by a harmonic oscillator approach using the MINDO/3 method, are in good agreement with available experimental data; on the basis of the obtained theoretical results the nature of the surface OH-groups are discussed.

Original languageEnglish
Pages (from-to)148-149
Number of pages2
JournalMendeleev Communications
Volume2
Issue number4
DOIs
Publication statusPublished - 1992 Jan 1
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)

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