Abstract

AbstractThe molecular dynamics and the catalytic reaction of methanol absorbed in 12‐heteropoly compound Na3PMo12O40 were studied by 1H, 2H, 13C, and 31P solid state wideline and/or MAS NMR spectra. Stoichiometric compounds Na3PMO12O40·nCH3OH where n = 6 and 9 were obtained under constant partial pressures. The presence of two kinds of methanol molecules, mobile and almost rigid, was revealed in crystals. Production of dimethylether and reduction of heteropoly anions were observed in the specimen heat‐treated at 200°C. We succeeded to detect an ester‐like species between heteropoly anion and methanol which can be assigned to an intermediate product of the reaction. Based on this finding we proposed a microscopic reaction mechanism of the catalytic reaction.

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