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用光度法测得六种四苯基卟啉衍生物的表观质子化常数及质子化热力学函数,并用半经验量子化学计算方法 PM3 计算了卟啉环中两个氮原子(= N-)的净电荷,探讨了取代基的电子效应及空间效应对质子化常数的影响。
The apparent protonation constants and protonation thermodynamic functions of six kinds of tetraphenylporphyrin derivatives were measured by spectrophotometry. The two nitrogen atoms (= N-) in the porphyrin ring were calculated by semi-empirical quantum chemical calculation method PM3 The net charge, the electronic effect of the substituent and the effect of space effect on the protonation constant were discussed.