Optimization of vanadium oxide catalyst for oxidation of 3-methylpyridine into nicotinic acid

Pavel Vorobyev, Tatyana Mikhailovskaya, Olga Yugay, Lyudmila Saurambaeva, Anna Serebryanskaya, Nikolay Chukhno, Raya Kurmakyzy

Abstract


Upon modification of V2O5 by SnO2 and ZrO2 an increase in activity and selectivity of a vanadium-oxide catalyst in vapor-phase oxidation of 3-methylpyridine into nicotinic acid is observed. It is shown that a promoting effect of SnO2 and ZrO2 is stipulated by an increase, under their effect, of proton affinity of vanadyl oxygen and a decrease in the enthalpy of deprotonation of the methyl group of the substrate, connected by a nitrogen atom with the Lewis acidic center (vanadium ion). The given characteristics are calculated by the quantum-chemical method of the Density Functional Theory. Modification of binary V2O5-SnO2 and V2O5-ZrO2-catalysts by TiO2 addition results in the further increase of vanadyl oxygen nucleophility and, as a consequence, an increase of catalytic activity and selectivity of the nicotinic acid formation. 


Keywords


quantum-chemical method; oxidation; promoting effect; V2O5; SnO2; ZrO2

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DOI: http://dx.doi.org/10.2298/JSC161220023z

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