Selective oxidation of ethane to acetaldehyde on a boron phosphate doped by magnesium or zinc oxides was considered using a semiempirical quantum chemical MINDO/3 method. Catalytic activity of boron phosphate is shown to enhance when the catalyst contains small amounts of MgO or ZnO. On the basis of calculated results a possible mechanism of this process is proposed.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry