Magic and Antimagic Protonated Water Clusters: Exotic Structures with Unusual Dynamic Effects

Abstract

It's a kinda magic! Contrary to conventional wisdom that OH bonds associated with dangling hydrogen atoms and those in the H3O+ ion in molecular clusters display characteristic peaks in IR spectra, a dynamic effect makes such peaks disappear, even in the gas phase at low temperatures. This finding helps solve the long-standing problems of magic and antimagic protonated water clusters with 21 (top structures) and 22 (bottom structures) water molecules. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2006/z504159_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.