氨基取代四苯基卟啉衍生物的结构剖析

Structural Analyses of Tetraphenyl Porphyrin Derivatives with Amino Substituents

用 HMO 方法计算了5个氨基取代四苯基卟啉的能级、净电荷、自由价和共振能,讨论了这些参数之间的线性关系,并预测了这类大环化合物的酸碱性。

The energy levels,net charges,free valences and resonance energies of five tetraphenyl porphyrin derivatives with amino substituents were calculated using HMO method,the linear relationships between the parameters were analyzed,acidity and basicity of the compounds were estimated.