| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383969 | Chemical Physics Letters | 2011 | 15 Pages |
Abstract
⺠Waters are strongly H-bonded to the ion's O atom, but they are rpelled on the ion's H side. ⺠The water network keeps the on-top water in place. ⺠We reproduce both the experimental absolute OHâ vibrational frequency and the shift. ⺠The waters on the ion's O side induce an OHâ blueshift. Waters on the H side do too. ⺠The net effect is a smaller blueshift, due to a frequency vs. field parabola for OHâ.
Related Topics
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Physical and Theoretical Chemistry
Authors
Kersti Hermansson, Philippe A. Bopp, Daniel SpÃ¥ngberg, Ljupco Pejov, Imre Bakó, Pavlin D. Mitev,