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Quantum chemical investigation of adsorptive weakening of surface bonds in γ-Al2O3 catalyst

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Abstract

Electronic weakening mechanism of interatomic bonds in γ-Al2O3 catalyst under the effect of electron donors H2O, NH3, pyridine and OH− has been studied in terms of the quantum-chemical cluster approach with CNDO/2 calculations.

Abstract

В рамках кластерного подхода с применением метода ППДП/2 исследован электронный механизм ослабления поверхностных межатомных связей катализатора γ-Al2O3 под действием электро-донорных молекул H2O, NH3, пиридин и иона OH−.

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Authors and Affiliations

  1. Institute of Organic Synthesis, Latvian Academy of Sciences, Aizkraukles 21, Riga, Latvia

    M. B. Fleisher & M. V. Shimanskaya

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  1. M. B. Fleisher
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  2. M. V. Shimanskaya
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Fleisher, M.B., Shimanskaya, M.V. Quantum chemical investigation of adsorptive weakening of surface bonds in γ-Al2O3 catalyst. React Kinet Catal Lett 48, 239–245 (1992). https://doi.org/10.1007/BF02070091

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  • DOI: https://doi.org/10.1007/BF02070091

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