Question

2. Do you see any indication from the electron density map that certain positions of the aromatic ring should be more susceptible to electrophilic attack than others? Is the electron density map consistent with your predictions based on resonance structures? In other words, do resonance structures give a good indication of the actual electron density and charge distribution in the molecule? (explain drawing resonance structures)

Answer 1

Yes, from the electron density map it can be said that meta position has high electron density and this will go for electrophilic substitution reaction.

From resonance the same thing can be depicted. As there is +ve charge at ortho and para position so it has less electron density while that at meta position has high electron density.

..Methyl Benzoate to Locna & Benz Resonanile : of Orly on By On į E6 B ocus a ochz. o ochz o OCH • so from resonance it can be said that meta position has high electron density Hence, in electrophilic substitution -m group substitution will be oclur. Example: . O OH3 OCH conc. HNO3 zu conl. Hy Soy . --nilno melhyl benzoate DOS PELAS