Qualitative Quantum-Chemical Models for Surface OH Groups of Oxides Full article
Journal |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
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Output data | Year: 1986, Volume: 31, Number: 1, Pages: 85-91 Pages count : 7 DOI: 10.1007/BF02062516 | ||
Tags | Oxide; Physical Chemistry; Catalysis; Acidity; Frequency Characteristic | ||
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Abstract:
The dependence of the acidity and frequency characteristics of surface OH groups on the number and electronegativity of their bonded nonoxygen atoms has been analyzed in terms of the Del Re localized molecule orbitals method. The model suggested is applied, in particular, to interpret the nonmonotonous dependence of the stretching vibration frequencies for single-coordinated OH groups on the electronegativity of nonacid atoms for a great variety of oxides.
Cite:
Pelmenshchikov A.G.
, Zhidomirov G.M.
Qualitative Quantum-Chemical Models for Surface OH Groups of Oxides
Reaction Kinetics and Catalysis Letters. 1986. V.31. N1. P.85-91. DOI: 10.1007/BF02062516 WOS Scopus РИНЦ
Qualitative Quantum-Chemical Models for Surface OH Groups of Oxides
Reaction Kinetics and Catalysis Letters. 1986. V.31. N1. P.85-91. DOI: 10.1007/BF02062516 WOS Scopus РИНЦ
Dates:
Submitted: | Dec 12, 1984 |
Accepted: | Mar 15, 1985 |
Published print: | Mar 1, 1986 |
Identifiers:
Web of science | WOS:A1986F069100014 |
Scopus | 2-s2.0-1542638819 |
Elibrary | 31178618 |
Chemical Abstracts | 1987:38946 |
Chemical Abstracts (print) | 106:38946 |
OpenAlex | W2065691295 |