The first ionization potentials and conjugation in benzene derivatives containing organosilicon, organogermanium, organotin, and organolead substituents |
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Authors: | A N Egorochkin S E Skobeleva T G Mushtina |
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Institution: | (1) G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, 49 ul. Tropinina, 603600 Nizhnji Novgorod, Russian Federation |
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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. |
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Keywords: | silylbenzenes germylbenzenes stannylbenzenes ionization potentials photoelectron spectra σ π -conjugation d π -conjugation |
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