Ionization potentials of halides. Substituent effects in Cl-, Br-, and I-centered radical cations

被引：0
|
作者：
A. N. Egorochkin
O. V. Kuznetsova
机构：
[1] Russian Academy of Sciences,G. A. Razuvaev Institute of Organometallic Chemistry
来源：
Russian Chemical Bulletin | 2003年 / 52卷
关键词：
halides; ionization potential; radical cation; inductive effect; conjugation; polarizability effect;
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学科分类号：
摘要：
The first vertical ionization potentials (I) of halides HalX (Hal = Cl, Br, I; X is an inorganic or organic substituent) are linearly related to the inductive (σI), resonance (σR+), and polarizability (σα) constants of the substituents X (I = a + bσI + cσR+ + dσα). As the atomic number of the Hal element in the Hal·+X radical cations increases, the inductive interaction is strengthened while the polarizability interaction is weakened. Conjugation remains virtually independent of the Hal atom. The resonance σR+-constants of the MX3 (M = Si, Ge, Sn, Pb) substituents bound to the Hal·+ radical cation centers were first calculated.
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页码：312 / 319
页数：7
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