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The Electron Attachment Energy of the Aqueous Hydroxyl Radical Predicted from the Detachment Energy of the Aqueous Hydroxide Anion.

Authors :
Adriaanse, Christopher
Sulpizi, Marialore
VandeVondele, Joost
Sprikt, Michiel
Source :
Journal of the American Chemical Society. 5/6/2009, Vol. 131 Issue 17, p6046-6047. 2p. 2 Graphs.
Publication Year :
2009

Abstract

The article presents a study that investigates on the electron attachment energy level of aqueous hydroxide anion. The study was conducted using experimental data of molecular dynamics simulation wherein vertical attachment energy (VAE) and electron affinity was calculated as well as photoemission threshold and vertical oxidation. The study reveals that finite size error is large and its direct electrostatic interaction level of solute ion reduce the solar solvent rate that affects oxidation.

Details

Language :
English
ISSN :
00027863
Volume :
131
Issue :
17
Database :
Academic Search Index
Journal :
Journal of the American Chemical Society
Publication Type :
Academic Journal
Accession number :
39990832
Full Text :
https://doi.org/10.1021/ja809155k