Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 13, Issue 6, Pages 1925-1938Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0cp01171a
Keywords
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Funding
- Chinese Academy of Sciences
- National Natural Science Foundation of China [20703048, 20803083, 20933008]
- CMS Foundation of the ICCAS [CMS-LX200902]
- 973 Program [2011CB932302]
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We introduce chemical structures and reactivity of oxygen-centred radicals (O-center dot) 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 (center dot) radicals; and (2) the dependences (cluster structures, sizes, charge states, metal types, etc.) of the chemical reactivity and selectivity for the O-center dot 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-center dot 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.
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