Abstract
In the framework of semiempirical quantum chemical MINDO/3 method the selective oxidation of ethane to acetaldehyde on a specially modified boron — phosphorus mixed oxide catalyst has been considered. On the basis of the results of calculation a possible mechanism for this process is proposed.
Abstract
В рамках полуэмпирического квантовохимического метода MINDO/3 рассмотрено селективное окисление этана в ацетальдегид на специально модифицированном смешанном оксиде бора и фосфора. На основании полученных результатов расчетов предложен возможный механизм этого процесса.
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Zhanpeisov, N.U., Otsuka, K. Cluster quantum chemical study of the mechanism of selective oxidation of ethane to acetaldehyde on boron — Phosphorus mixed oxide catalysts. React Kinet Catal Lett 48, 301–308 (1992). https://doi.org/10.1007/BF02070100
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DOI: https://doi.org/10.1007/BF02070100