Electron affinity and substituent effects in radical anions

被引：0
|
作者：
A. N. Egorochkin
O. V. Kuznetsova
O. V. Novikova
机构：
[1] Russian Academy of Sciences,Razuvaev Institute of Organometallic Chemistry
来源：
Russian Journal of General Chemistry | 2007年 / 77卷
关键词：
General Chemistry; Radical Cation; Ionization Potential; Radical Anion; Electron Affinity;
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摘要：
The first vertical electron affinities EA of 13 series of molecules and free radicals D(Xi)n are related to the inductive (σI), resonance (σR−), and polarization (σα) parameters of substituents Xi by the dependences EA = EAH + aΣσI + bΣσR/− + cΣσα: In radical anions D+·(Xi)n, compared to radical cations D+·(Xi)n, the polarization interaction is weaker or similar in magnitude but has an opposite sign. The previously unknown resonance parameters σR− of substituents SiMe3 and CH2SiMe3 bound to the radical anion center H2C=CH−· were calculated.
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页码：62 / 72
页数：10
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