The Institute of Chemistry of the Chinese Academy of Sciences has made a series of progress in the research of oxygen free radicals

Oxygen free radicals are a type of typical important chemical reaction intermediates. They are widely present in the atmosphere, chemistry, life and other processes. It is very difficult to capture and study oxygen free radicals. With the support of the National Natural Science Foundation of China, the Chinese Academy of Sciences, and the Ministry of Science and Technology, researchers from the Molecular Dynamics and Steady State Structure Laboratory of the Institute of Chemistry have proposed a new research idea: prepare oxygen radicals on clusters with a clear molecular structure Through the adjustment of cluster composition, size, electronic structure and other factors to understand the structure and reactivity of oxygen radicals, a series of research progress has been made. Recently, researchers were invited to write a review of oxygen radical chemistry research for the American Chemical Society Journals of Chemical Research (Acc. Chem. Res. 2012, 45, 382).

Researchers first proposed to define the “oxygen defect index” to classify metal oxide clusters (Theor. Chem. Acc. 2010, 127, 449). Experiments combined with theory found one type of cluster (the index is 1 cluster) Oxygen radicals are used as the reactive active center to react with methane (Chem. Commun. 2010, 46, 1736) and other very stable small molecules at room temperature; it is further found that the single electron transfer in the adsorption of oxygen molecules is oxygen radicals Important mechanism of spontaneous generation (J. Phys. Chem. A, 2010, 114, 10024; 2011, 115, 10245). Through the study of binary composite oxide clusters, it was found that in a series of clusters, oxygen radicals and the main group elements aluminum (Chem. Eur. J. 2011, 17, 3449), silicon (J. Phys. Chem. C, 2010 , 114, 12271; Chem. Eur. J. 2010, 16, 11463 / VIP article), phosphorus (Phys. Chem. Chem. Phys. 2010, 12, 12223) instead of bonding with the transition metal element vanadium, indicating that V2O5 / Al2O3, V2O5 / SiO2 and other carrier components may also participate in surface chemical reactions. Through in-depth analysis of the reactivity of oxygen radicals, the local spin density distribution of oxygen radicals on the cluster was found (Phys. Chem. Chem. Phys. 2010, 12, 3984; J. Phys. Chem. C. 2011, 115 , 13329) and local charge distribution (Chem. Eur. J. 2011, 17, 11728) can significantly affect the reaction rate of free radicals with carbon monoxide, alkanes and other molecules. This is to regulate the reactivity between oxygen radicals and stable small molecules. Selectivity establishes a theoretical foundation.

The Institute of Chemistry of the Chinese Academy of Sciences has made a series of progress in the research of oxygen free radicals

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