The first ionization potentials and conjugation in benzene derivatives containing organosilicon, organogermanium, organotin, and organolead substituents |
| |
Authors: | A. N. Egorochkin S. E. Skobeleva T. G. Mushtina |
| |
Affiliation: | (1) G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, 49 ul. Tropinina, 603600 Nizhnji Novgorod, Russian Federation |
| |
Abstract: | 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 andp-disubstituted benzene derivatives were analyzed in the Koopmans approximation. A linear dependence between the perturbation energy δE and the resonanceσ R + parameters of the substituents was established. The Koopmans approximation is a rough approximation for the compounds studied, since to provide for its rigorous fulfilment, the δE values must depend on the σ R 0 parameters of the substituents. The principal regularities of increasing the σ,π-conjugation between the organoelement substituents and the π-system caused by a positive charge on the benzene ring were established. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 70–75, January 1997. |
| |
Keywords: | silylbenzenes, germylbenzenes, stannylbenzenes, ionization potentials photoelectron spectra σ ,π -conjugation, d,π -conjugation |
本文献已被 SpringerLink 等数据库收录! |
|