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用光度法测得 5种四苯基卟啉蒽醌化合物的表观质子化常数 ,以lnKθ对 1/T作线性回归 ,求出质子化过程的△rHθm<0及△rSθm>0。探讨了取代基的电子效应、空间效应对质子化常数的影响 ,并通过半经验量子化学计算方法PM 3计算了卟啉环中 2个氮原子 (N )的净电荷和前线轨道能量差。
The apparent protonation constants of 5 tetraphenylporphyrin anthraquinones were measured by photometric method. The linear regression of 1 / T with lnKθ was used to find the △ rHθm <0 and △ rSθm> 0 of the protonation process. The influence of electron effect and space effect on the protonation constants was investigated. The net charge and frontier orbital energy difference of two nitrogen atoms (N) in the porphyrin ring were calculated by semi-empirical quantum chemical calculation method PM 3.