Insights into Catalytic Oxidative Reaction Mechanisms of Pentane on the Ru(0001) Surface.

Developing efficient and selective oxidative transformations of light alkanes into alkenes or oxygenates is vital for advancing to cleaner and more efficient chemical processes. A suitable selective catalyst is required to ease reaction conditions and ensure the formation of desired oxygenated compounds. Here, using periodic density functional theory, we have investigated the suitability of a ruthenium catalyst for the partial oxidation of -pentane using molecular oxygen.

Understanding deNO mechanisms in transition metal exchanged zeolites.

Transition-metal-containing zeolites have wide-ranging applications in several catalytic processes including the selective catalytic reduction (SCR) of NO species. To understand how transition metal ions (TMIs) can effect NO reduction chemistry, both structural and mechanistic aspects at the atomic level are needed. In this review, we discuss the coordination chemistry of TMIs and their mobility within the zeolite framework, the reactivity of active sites, and the mechanisms and intermediates in the NH-SCR reaction.

Structures and ammonia synthesis activity of hexagonal ruthenium iron nitride phases.

A series of ruthenium iron nitride phases with Ru:Fe ratios of ca. 1:3 were synthesized by ammonolysis. When the ammonolysis temperature was above 500°C, the obtained RuFeN materials had a ε-FeN (622) structure, while two similar phases were present when the ammonolysis was lower than 500°C.