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

印第安纳大学的Caroline C.Jarroeld教授在化学系化学催化计划的支持下，利用气相物理化学工具，包括质谱学、阴离子光电子能谱和光解离研究，结合密度泛函理论计算，研究了几种电荷状态下钼基二元氧化物团簇的物理、电子和化学性质。主要目的是为了更好地了解这些氧化物与烷烃和醇的催化相互作用的结构与功能关系。催化剂在许多与能源、环境和经济有关的过程中发挥着关键作用，钼基二元氧化物已被确定为具有重要工业意义的烷烃和醇氧化的潜在催化材料。参与这项研究的学生和博士后助理将获得使用最先进的气相研究工具的经验，并将接受伦理、科学信息传播、社区推广和职业发展方面的培训。

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.