THE FIRST IONIZATION-POTENTIALS AND CONJUGATION IN BENZENE-DERIVATIVES CONTAINING ORGANOSILICON, ORGANOGERMANIUM, ORGANOTIN, AND ORGANOLEADSUBSTITUENTS
An. Egorochkin et al., THE FIRST IONIZATION-POTENTIALS AND CONJUGATION IN BENZENE-DERIVATIVES CONTAINING ORGANOSILICON, ORGANOGERMANIUM, ORGANOTIN, AND ORGANOLEADSUBSTITUENTS, Russian chemical bulletin, 46(1), 1997, pp. 65-70
The inductive and resonance effects of silicon-, germanium-, tin-. and
lead-containing and some organic substituents on the HOMO energies (E
-HOMO) for 43 monosubstituted and p-disubstituted benzene derivatives
were analysed in the Koopmans approximation. A linear dependence betwe
en the perturbation energy delta E and the resonance sigma(R)(+) param
eters of the substituents was established. The Koopmans approximation
is a rough approximation for the compounds studied, since to provide f
or its rigorous fulfilment. the delta E values must depend on the sigm
a(R)(0) parameters of the substituents. The principal regularities of
increasing the sigma,pi-conjugation between the organoelement substitu
ents and the pi-system caused by a positive charge on the benzene ring
were established.