COLL 429 |
| Eric C. Brown1, Martin Mucha2, Pavel Jungwirth2, and Douglas J. Tobias1. (1) Department of Chemistry, University of California, Irvine, Irvine, CA 92697, (2) J. Heyrovsky Institute of Physical Chemistry, Czech Academy of Sciences, Dolejskova 3, 182 23 Prague 8, Czech Republic |
| By means of classical molecular dynamics simulations we have studied the interface of alkali-halide (NaX, X=F,Cl,Br,I) water solutions. In particular, we have calculated the SFG vibrational spectra, and have attempted to interpret them in terms of molecular motions and to compare them to the available experimental data. The effect of correctly accounting for the atomic polarizability of the halide ions has been studied. |
|
Vibrational Analyses of Dry and Wet Surfaces
2:00 PM-5:30 PM, Wednesday, March 31, 2004 Marriott -- Grand Ballroom H, Oral
Division of Colloid and Surface Chemistry |