摘要
Antiradical activity of 2-substituted 4-(1,3-thiazol-4-yl)-1,2-dihydroxybenzenes in the reaction with 1,1-diphenyl-2-picrylhydrazyl stable radical has been studied. Kinetic parameters of the process have been determined. Energy of homolytic dissosiation of the O-H bond of the studied compounds has been computed by DFT simulation in the 6-31G(p,d) basis set. The calculated bond energies correlate with the experimental rate constants.
- 出版日期2014-2