First ionization potentials and conjugation in molecules of ethylene derivatives containing organoelemental substituents of Group IV elements |
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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 Nizhnii Novgorod, Russian Federation |
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Abstract: | Unlike theE
HOMO energies, the first vertical ionization potentials (I
1) of monosubstituted ethylenes dependen not only on both the inductive and resonance effects but also on the polarizability
of the substituents, which can be characterized by the σα parameters. The σ
R
+
, σ
p
+
, and σα parameters for 12 silicon-, germanium-, and tin-containing groups were determined using the equations relating theI
1 values and the σI, σ
R
+
, σ
p
+
and σα parameters of the substituents in the molecules of organic compounds. The conjugation of organoelemental substituents with
the double bond is stronger than that with benzene ring; the σ
R
+
parameters in the ethylene and benzene series are related by a linear dependence.
Translated fromIzvestiya Akademii Nauk Seriya Khimicheskaya, No. 9, pp. 1626–1631, September, 1997. |
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Keywords: | ionization potential silylethylenes germylethylenes stannylethylenes σ -constants of substituents correlation equations |
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