一个量化学方法被开发计算各种各样的器官的激进分子的 Hammett 取代者常数。第一次,这些最新获得的常数允许器官的激进分子的电子需求的定量分析。计算表明器官的激进分子的电子需求戏剧性地变化。契约分离精力的 Hammett 关系在 homolysis 过程期间仅仅由电子需求的变化是坚定的,这被表明。
A quantum chemistry method was developed to calculate the Hammett substituent constants of various organic radicals. These newly obtained constants allow, for the first time, the quantitative analysis of the electron demand of organic radicals. Calcula- tions reveal that the electron demand of organic radicals varies dramatically. It was demonstrated that the Hammett relationship of bond dissociation energies is determined only by the change of electron demand during the homolysis process.