Quick Search:

uzh logo
Browse by:

Zurich Open Repository and Archive

Permanent URL to this publication: http://dx.doi.org/10.5167/uzh-19938

Adriaanse, C; Sulpizi, M; VandeVondele, J; Sprik, M (2009). The Electron Attachment Energy of the Aqueous Hydroxyl Radical Predicted from the Detachment Energy of the Aqueous Hydroxide Anion. Journal of the American Chemical Society, 131(17):6046-6047.

[img] PDF (Verlags PDF) - Registered users only
View at publisher


Combining photoemission and electrochemical data from the literature we argue that the difference between the vertical and adiabatic ionization energy of the aqueous hydroxide anion is 2.9 eV. We then use density functional theory based molecular dynamics to show that the solvent response to ionization is nonlinear. Adding this to the experimental data we predict a 4.1 eV difference between the energy for vertical attachment of an electron to the aqueous hydroxyl radical and the corresponding adiabatic electron affinity. This places the state accepting the electron only 2.2 eV below vacuum or 7.7 eV above the edge of the valence band of water.


34 citations in Web of Science®
37 citations in Scopus®
Google Scholar™



0 downloads since deposited on 31 Jul 2009
0 downloads since 12 months

Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Date:8 April 2009
Deposited On:31 Jul 2009 10:49
Last Modified:05 Apr 2016 13:18
Publisher:American Chemical Society
Publisher DOI:10.1021/ja809155k

Users (please log in): suggest update or correction for this item

Repository Staff Only: item control page