Highlight Publications 2020

Nature of Excess Hydrated Proton at the Water–Air Interface
Sudipta Das, Sho Imoto, Shumei Sun, Yuki Nagata, Ellen H. G. Backus,and Mischa Bonn
Nature of Excess Hydrated Proton at the Water–Air Interface
Understanding the interfacial molecular structure of acidic aqueous solutions is important in the context of, e.g., atmospheric chemistry, biophysics, and electrochemistry. The hydration of the interfacial proton is necessarily different from that in the bulk, given the lower effective density of water at the interface, and is elucidated here for the first time. Combined experiments and simulations reveal that the proton at the water-air interface is well-hydrated, despite the limited availability of hydration water, with both Eigen and Zundel structures coexisting at the interface. A substantial interfacial stabilization by -1.3±0.2 kcal/mol is observed experimentally, in good agreement with our free energy calculations.
© MPI-P (2020)
Structure of protons at the water interface revealed for the first time
 
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