Effect of substituents on the first ionization potentials of aromatic and heteroaromatic compounds. The {ie2532-1} resonance parameters of Si-, Ge-, Sn-, and Pb-containing fragmentsresonance parameters of Si-, Ge-, Sn-, and Pb-containing fragments |
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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: | The first vertical ionization potentials (IP) of monosubstituted benzenes, hexafluorobenzenes, naphthalenes, anthracenes, furans, thiophenes, and selenophenes and the
secondIP of monosubstituted tellurophenes are related to the inductive, resonance, and polarization parameters of substituents by
dependences of the type {ie2532-2}. The contribution of polarizability effect, {ie2532-3}, to theIP value is determined by the degree of delocalization of the positive charge in radical cations formed upon photoionization
of the compounds studied. The {ie2532-4} resonance parameters of nineteen Si-, Ge-, Sn-, and Pb-containing substitutents in
naphthalene, furan, and thiophene series were calculated.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2434–2438, December, 1998. |
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Keywords: | aromatic and heteroaromatic compounds ionization potentials polarizability of substituents conjugation substituents containing Group 14 elements |
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