title: Characterization and reactivity of oxygen-centred radicals over transition metal oxide clusters.
abstract: We introduce chemical structures and reactivity of oxygen-centred radicals (O(-)˙) over transition metal oxide (TMO) clusters based on mass spectrometric and density functional theory studies. Two main issues will be discussed: (1) the compositions of TMO clusters that have the bonding characteristics of (or contain) the O(-)˙ radicals; and (2) the dependences (cluster structures, sizes, charge states, metal types, etc.) of the chemical reactivity and selectivity for the O(-)˙ radicals over TMO clusters. One of the goals of cluster chemistry is to understand the elementary reactions involved with complex heterogeneous catalysis. The study of the O(-)˙ containing TMO clusters permits rather detailed descriptions for how mono-nuclear oxygen-centred radicals may exist and react with small molecules over TMO based catalysts.
authors.affiliation: Beijing National Laboratory for Molecular Science, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.
authors.forename: Yan-Xia
authors.initials: YX
authors.lastname: Zhao
authors.forename: Xiao-Nan
authors.initials: XN
authors.lastname: Wu
authors.forename: Jia-Bi
authors.initials: JB
authors.lastname: Ma
authors.forename: Sheng-Gui
authors.initials: SG
authors.lastname: He
authors.forename: Xun-Lei
authors.initials: XL
authors.lastname: Ding