This investigationrepresents the first operandomolecular spectroscopic study of methane conversion to benzene over supported Mo/ZSM-5catalysts. The study determines the molecular structures of supported Mospecies under different environments and the nature of surface carbon reaction intermediates.Additional molecular structural and reaction mechanistic insights are providedfrom complementary DFT calculations. The supported Mo phase is present ashydrated Mo8O24 species under ambient conditions,isolated dioxo surface MoO4 species upon dehydration and reduced amorphousMoCx or MoOxCy species during methane activationto benzene.

Investigation of methane aromatization over
Mo/ZSM-5 catalysts with operando spectroscopy and DFT calculations

240th National Meeting (2010)

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Investigation of methane aromatization over Mo/ZSM-5 catalysts with operando spectroscopy and DFT calculations