H(aq)+ structures in proton wires inside nanotubes

Evgenii S Stoyanov; Irina V Stoyanova; Fook S Tham; Christopher A Reed

doi:10.1021/ja907708g

H(aq)+ structures in proton wires inside nanotubes

J Am Chem Soc. 2009 Dec 9;131(48):17540-1. doi: 10.1021/ja907708g.

Authors

Evgenii S Stoyanov¹, Irina V Stoyanova, Fook S Tham, Christopher A Reed

Affiliation

¹ Department of Chemistry, University of California, Riverside, California 92521-0403, USA. evgeniis@ucr.edu

Abstract

The hydrated carborane acid H(CHB(11)I(11)).8H(2)O crystallizes in nanometer-diameter tubes of H(aq)(+) enclosed by walls of carborane anions. Three different types of H(aq)(+) clusters are found in these tubes: a symmetrical H(13)O(6)(+) ion with an unusually elongated Zundel-type H(5)O(2)(+) core, two hydrated H(7)O(3)(+) ions, and an unprecedented H(17)O(8)(+) ion having a nearly square core. All of the H(aq)(+) cations show unexpectedly longer O...O separations than in discrete H(aq)(+) ions, indicating greater delocalization of positive charge. The centrosymmetric H(aq)(+) ions are linked via short H bonds, forming a true one-dimensional proton wire.

Publication types

Research Support, N.I.H., Extramural

MeSH terms

Hydrophobic and Hydrophilic Interactions
Ion Channels / chemistry
Models, Molecular
Molecular Conformation
Nanotubes / chemistry*
Protons*

Substances

Ion Channels
Protons

Abstract

Publication types

MeSH terms

Substances

Grants and funding