Angular groups attached to aromatic rings cause an increase of the double bond localization, called Angular Group Induced Bond Alternation (AGIBA). The effect for the groups with single bonds, X-Y, increases the double bond character of the cis CC bond in the ring, whereas the groups with double bonds, X=Y, work in the opposite way. The group with a branched structure, like the carboxylic one, should exhibit an enhancement of the AGIBA effect. Analyses of 61 geometries for p-substituted derivatives of benzoic acid, as well as of the geometry of benzoic acid optimized at B3LYP/6-311G** level of theory, show that there is no cooperative effect in this kind of substituent.
JavaScript jest wyłączony w Twojej przeglądarce internetowej. Włącz go, a następnie odśwież stronę, aby móc w pełni z niej korzystać.