Alpha oxygen – a unique oxidation active site from a quantum chemical viewpoint
Abstract
also at low temperatures over different transition metal cations stabilized in extra-framework cationic sites of zeolites in the form of either isolated cations or two cooperating cations forming distant binuclear cationic sites. The alpha oxygen was primarily defined by its reactivity, and up to now, experimental data concerning its structure are rather scarce. Quantum chemical calculations are used to interpret experimental data and thus yield significantly deeper insights into the preparation, structure, and reactivity of this otherwise omitted active species with enormous potential for applications. This review represents the first collection and systematic interpretation of experimental data and quantum chemical calculations to provide a complex description of the alpha oxygen and its structure, reactivity, and properties.
Fields of Study & Subjects
Catalytic Processes in Materials Science
Metal-Catalyzed Oxygenation Mechanisms
Electrocatalysts for Energy Conversion
Publication details
- Journal / source
- Chemical Society Reviews
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 55
- Issue
- 4
- Pages
- 2120–2144
- Publication date
- 1 January 2026
- Language
- EN