Electron Affinity, Electronegativity, and Electrophilicity of Atoms and Ions

被引：46

作者：

Chattaraj, Pratim Kumar ^{[1
]}

Duley, Soma

机构：

[1] Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India

来源：

JOURNAL OF CHEMICAL AND ENGINEERING DATA | 2010年 / 55卷 / 05期

关键词：

METAL AROMATIC ION; IONIZATION-POTENTIALS; INSTABILITY; PRINCIPLE; REACTIVITY; HARDNESS; BOND; DFT;

D O I：

10.1021/je900892p

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The electron affinity, electronegativity, and electrophilicity of several neutral atoms and their positive and negative ions are calculated at various levels of theory using different basis sets in the gas phase as well as in the presence of solvent and counterions. The electron affinity and electronegativity of all of the anions and dianions are negative in gas phase, and accordingly the electrophilicity is unexpectedly large vis-a-vis its quadratic definition. Many of these trends get altered in case the effects of solvent and counterions are taken into account.

引用

页码：1882 / 1886

页数：5

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