Electron Affinity, Electronegativity and Electrophilicity of Anions

Details Electron Affinity, Electronegativity and Electrophilicity of Anions Electron Affinity, Electronegativity and Electrophilicity of Anions

2009-11-29

arxiv.org/abs/0911.5507v1

Physics

Atomic and Molecular Clusters

33 pages, 1 figure, 12 tables

Scientific paper

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. Electron affinity and electronegativity of all 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.

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