Crystal structure and properties of H3[PMo12O40]•3C2H6O

The title compound H-3[PMo12O40] . 3C(2)H(6)O was prepared and characterized by X-ray crystallography, its i.r. spectrum, cyclic voltammetry and e.s.r. spectra. The anion of the title compound is a Keggin-type heteropoly structure based upon a central PO4 tetrahedron surrounded by 12 MoO6 octahedra arranged in four groups of three edge-shared octahedra Mo3O13. Weak hydrogen bonds exist between the organic solvent molecules and the heteropoly anion. The catalytic activity of the title compound was determined by the synthesis of butyl acetate. The conversion of n-BuOH reached 93.3% and the yield of MeCO2Bu-n was 92.0% when the ratio of MeCO2H to n-BuOH, catalyst amount, reaction time, reaction temperature were 2: 1, 0.24% of the reactants (50 mg), 2.0 h and 115 similar to 120 degreesC, respectively.