Coordination and activation of nitrous oxide by iron zeolites

Iron-containing zeolites are heterogeneous catalysts that exhibit remarkable activity in the selective oxidation of inert hydrocarbons and catalytic decomposition nitrous oxide (N2O). The reduction N2O is critical to both these functions, but experimental data tracking iron active sites during binding activation limited. Here, N2O-ligated Fe(ii) site iron-exchanged zeolite beta isolated characterized by variable-temperature Mössbauer, diffuse reflectance UV-vis-NIR Fourier transform infrared spectroscopy. binds through terminal nitrogen atom with substantial backbonding from centre at low temperature. At higher temperatures, Fe–N2O interaction weakened, facilitating isomerization O-bound form, which competent O-atom transfer. Density functional theory calculations show geometric electronic structure requirements for activation. A distortion imposed lattice plays an important role activating N2O. This highlights a mechanism structural control over function Fe-zeolite catalysts. Nitrous-oxide-mediated reactions can be effectively promoted iron-containing zeolites, although information on between oxidant metal authors report characterization beta.