Citation: Hong Yu ZHANG, Lan Fen WANG. Theoretical Investigation on Radical-Coupling Reactivity of Indolinonic Aminoxyls[J]. Chinese Chemical Letters, ;2003, 14(4): 437-440. shu

Theoretical Investigation on Radical-Coupling Reactivity of Indolinonic Aminoxyls

Hong Yu ZHANG ^1, ,
Lan Fen WANG ²

1.
Laboratory for Computational Biology, Shandong Provincial Research Center for Bioinformatic Engineering and Technique, Shandong University of Technology, Zibo 255049;
2.
Department of Chemistry, Shandong Teachers' University, Jinan 250014

Received Date: 24 June 2002

Fund Project: This study was supported by the National Natural Science Foundation of China (Grant No. 30100035).

Indolinonic aminoxyls can effectively scavenge various radicals by directly coupling with them or by imitating superoxide dismutase. To better understand the radical-coupling reactions, DFT method B3LYP/6-31G(d,p) was employed to calculate variations of free energy for the coupling reactions and other physico-chemical parameters. The radical-coupling activity difference between aminoxyls was elucidated to a large extent in terms of electronic properties of substituents.
- Density functional theory,
- indolinonic aminoxyl,
- radical-coupling reaction
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