Electronegativity and inductive and mesomeric parameters of atomic groups:A semiempirical quantum chemical estimation

The electronegativity, the inductive parameter l, and the mesomeric dipole moments of substituents depend on the electronic structure characteristics of organic molecules calculated by the CHDO/2, INDO, MINDO, MINDO/3, MNDO, and AM1 methods. It is shown that the electronegativity as well as the indu ctive and mesomeric characteristics of atomic groups may be estimated by se miempirical quantum chemical methods.