title: H(aq)+ structures in proton wires inside nanotubes.
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.
authors.affiliation: Department of Chemistry, University of California, Riverside, California 92521-0403, USA. evgeniis@ucr.edu
authors.forename: Evgenii S
authors.initials: ES
authors.lastname: Stoyanov
authors.forename: Irina V
authors.initials: IV
authors.lastname: Stoyanova
authors.forename: Fook S
authors.initials: FS
authors.lastname: Tham
authors.forename: Christopher A
authors.initials: CA
authors.lastname: Reed
mesh_terms: D057927:Hydrophobic and Hydrophilic Interactions; D007473:Ion Channels / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D043942:Nanotubes / Q000737:chemistry*; D011522:Protons
chemical_list: D007473:Ion Channels; D011522:Protons