Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 108, Issue 39, Pages 14804-14806Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp046716o
Keywords
-
Categories
Ask authors/readers for more resources
The hydrated proton was studied at the water liquid/vapor interface using the multistate empirical valence bond (MS-EVB) methodology, which enables the migration of the excess proton to and about the interface through the fluctuating bond topology described by the Grotthuss shuttle mechanism. It was found in our model that the hydrated excess proton displays a marked preference for water liquid/vapor interfaces. The resulting stable surface structures can be explained through an examination of the bond network formed between the water/proton moiety and solvating water. These results suggest the excess proton can effectively behave as an amphiphile, displaying both hydrophobic and hydrophilic character.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available