How the Substituent Effect Influences π-Electron Delocalisation in the Ring of Reactants in the Reaction Defining the Hammett Substituent Constants σm and σp

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Abstract
Application of the geometry (HOMA, EN, GEO) and magnetism based (NICS, NICS(1)) indices of aromaticity to optimised geometry of the ring in 12 meta – and 12 para – substituted benzoic acids and their anions by use of DFT computations at B3LYP/6-311+G(d,p) level has shown a very low substituent effect on the π-electron delocalisation. This resembles (qualitatively) the resistance of benzene (and typical aromatic systems) against reactions leading to the change of π-electron delocalisation.