Electron affinity and substituent effects in radical anions |
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Authors: | A N Egorochkin O V Kuznetsova O V Novikova |
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Institution: | (1) Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, ul. Tropinina 49, Nizhni Novgorod, 603950, Russia |
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Abstract: | The first vertical electron affinities EA of 13 series of molecules and free radicals D(X i ) n are related to the inductive (σ I ), resonance (σ R ? ), and polarization (σα) parameters of substituents X i by the dependences EA = EA H + aΣσ I + bΣσ R/? + cΣσα: In radical anions D+·(X i ) n , compared to radical cations D+·(X i ) n , the polarization interaction is weaker or similar in magnitude but has an opposite sign. The previously unknown resonance parameters σ R ? of substituents SiMe3 and CH2SiMe3 bound to the radical anion center H2C=CH?· were calculated. |
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