Critical Size for Intracluster Proton Transfer from Water to an Anion

Abstract

Bigger is better: Proton transfer in the electronic ground state for (C6H5NH−)⋅ (H2O)n has been investigated by photoelectron spectroscopy. At a critical size of n=3, one proton of a water molecule is captured by the deprotonated aniline to form solvated OH− (see picture). These experimental observations are supported by ab initio calculations that establish the greater stability of the solvated OH− anion for n≥3. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2008/z800542_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.