Reaction Kinetics and Catalysis Letters

, Volume 31, Issue 1, pp 101–105 | Cite as

MINDO/3 studies of surface OH groups of alumina

  • I. N. Senchenya
  • A. G. Pelmenshchikov
  • G. M. Zhidomirov
  • V. B. Kazanskii
Article
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Accepted:

Abstract

Cluster models for various types of OH groups of alumina have been calculated in terms of the MINDO/3 method. Dependence of the acidity and stretching vibration frequencies of OH groups on the number and coordination of neighboring aluminium atoms has been analyzed.

Keywords

Alumina Physical Chemistry Catalysis Acidity Vibration Frequency 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Abstract

В рамках метода MINDO/3 проведены расчеты кластерных моделей различных типов OH-групп оксида алюминия. Анализируется зависимость кислотности и частот валентных колебаний OH-групп от числа и координации связанных с ними атомов алюминия.

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Copyright information

© Akadémiai Kiadó 1986

Authors and Affiliations

  • I. N. Senchenya
    • 1
  • A. G. Pelmenshchikov
    • 2
  • G. M. Zhidomirov
    • 2
  • V. B. Kazanskii
    • 2
  1. 1.Institute of Organic ChemistryMoscow
  2. 2.Institute of CatalysisNovosibirskUSSR

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