The investigation of the molecular-level mechanisms of proton transport in diverse systems is a research project advised by David Keffer (Chemical and Biomolecular Engineering, University of Tennessee). The structures shown on this page are the work of Ms. Myvizhi Esai Selvan, a PhD student at the University of TN.

The JavaScript code JSMol is used to view and interact with these structures. Older browsers are directed to an archival version of the site, using the Chime plug-in. In 2014, Eleanor Leffler at the University of Tennessee updated these pages from Chime to JSMol.

• Isolated Structures

• Zundel Ion: H₅O₂⁺

• Eigen Ion: H₇O₃⁺

• reversible reactive complex (two coupled Eigen ions): H₁₃O₆⁺

• Systems

• bulk water

• infinite dilution

• bulk aqueous solution of hydrochloric acid

• HCl 0.84 M (pH = 0.076)
• HCl 0.44 M (pH = 0.357)
• HCl 0.22 M (pH = 0.657)

• water in carbon nanotubes with H₃O⁺ at infinite dilution

• radius = 5.42 Å
• radius = 6.78 Å
• radius = 8.14 Å
• radius = 9.49 Å
• radius = 10.85 Å