Selectivity and Mechanism of Thermal Decomposition of β-diketones on ZnO Powder.

ABSTRACT: The thermal chemistry of β-diketones underlies a number of catalytic processes related both to the catalytic reactions yielding commodity chemicals and to the production of supported transition metal catalysts themselves. The mechanisms of decomposition during thermal transformation of three β-diketones, acetylacetone (acacH), 1,1,1-trifluoroacetylacetone (tfacH), and 1,1,1,5,5,5-hexafluoroacetylacetone (hfacH), were studied on ZnO powder surface using Fourier-transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), and Density functional theory (DFT) computational investigation. The initial O-H dissociation leads to the formation of corresponding β-diketonates in all the cases investigated. These diketonates are important surface intermediates that can be generated

SUBMITTER: Kung H 

PROVIDER: S-EPMC4545501 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature