First ionization potentials of amines and electronic effects in their radical cations |
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Authors: | Egorochkin A N Voronkov M G Skobeleva S E Zderenova O V |
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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;(2) Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, 1 ul. Favorskogo, 664033 Irkutsk, Russian Federation |
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Abstract: | The possibility of application of linear free energy relationships for studying the effects of substituents on the first vertical ionization potentials of amines, I(nN), was substantiated. The I(nN) values depend on the inductive, resonance, and polarizability effects of substituents and are also affected by hyperconjugation. The R
+ resonance parameters of substituents MR3 (M = Si, Ge, Sn) and CH2SiMe3 bound to the N
·+ radical cation center were calculated for the first time. |
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Keywords: | amines ionization potential radical cation conjugation polarizability electronic effects of organometallic substituents |
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