Binary transition metal oxide clusters: Kinetics and mechanisms of catalytically relevant processes probed by gas-phase reactivity studies, spectroscopy, and DFT calculations

Indiana University, Bloomington IN

Investigators

Abstract

Professor Caroline C. Jarrold of Indiana University is supported by the Chemical Catalysis Program in the Division of Chemistry to study the physical, electronic and chemical properties of molybdenum-based binary oxides clusters in several charge states using gas-phase physical chemistry tools, including mass spectrometry, anion photoelectron spectroscopy, and photodissociation studies used in parallel with density functional theory calculations. The main objective is to achieve a better understanding of the structure-function relationships of the catalytically-relevant interactions of these oxides with alkanes and alcohols. Catalysts play a critical role in many processes relevant to energy, the environment and the economy, and molybdenum-based binary oxides have been identified as promising catalytic materials for the industrially important oxidation of alkanes and alcohols. Students and postdoctoral associates involved in this research will become experienced with state-of-the-art gas phase research tools and will be trained in ethics, scientific information dissemination, community outreach, and career development.