Abstract

The electronic absorption spectra of cationic forms of porphyrinoids in acetonitrile or benzene with the addition of acetic or trifluoroacetic acid have been studied and the values of the acid-base interaction constants have been calculated. The order of changes in the basicity of the studied compounds obtained from spectrophotometric, quantum-chemical (DFT, B3LYP, and CC-pVDZ using NBO analysis), and thermodynamic data have been consistent.

中文翻译：

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苯基取代卟啉类化合物碱度的光谱和量子化学研究

摘要

研究了添加乙酸或三氟乙酸后乙腈或苯中卟啉类阳离子形式的电子吸收光谱，并计算了酸碱相互作用常数。从分光光度法，量子化学（使用NBO分析得到的DFT，B3LYP和CC-pVDZ）和热力学数据获得的研究化合物的碱度变化顺序是一致的。