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Dynamics of water probed with vibrational echo correlation spectroscopy
Abstract
Vibrational echo correlation spectroscopy experiments on the OD stretch of dilute HOD in H2O are used to probe the structural dynamics of water. A method is demonstrated for combining correlation spectra taken with different infrared pulse bandwidths (pulse durations), making it possible to use data collected from many experiments in which the laser pulse properties are not identical. Accurate measurements of the OD stretch anharmonicity (162 cm−1) are presented and used in the data analysis. In addition, the recent accurate determination of the OD vibrational lifetime (1.45 ps) and the time scale for the production of vibrational relaxation induced broken hydrogen bond “photoproducts” (∼2 ps) aid in the data analysis. The data are analyzed using time dependent diagrammatic perturbation theory to obtain the frequency time correlation function (FTCF). The results are an improved FTCF compared to that obtained previously with vibrational echo correlation spectroscopy. The experimental data and the experimentally determined FTCF are compared to calculations that employ a polarizable water model (SPC-FQ) to calculate the FTCF. The SPC-FQ derived FTCF is much closer to the experimental results than previously tested nonpolarizable water models which are also presented for comparison.
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Citations
Cites
Two-Dimensional Femtosecond Spectroscopy
Jonas, D. M. (2003) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.54.011002.103907 · Cited by 1,198
Cited by
Coherent Two-Dimensional Optical Spectroscopy
Cho, M. (2008) · Chemical Reviews · doi:10.1021/cr078377b · Cited by 835
Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction
Baiz, C. R., Błasiak, B., Bredenbeck, J., Cho, M., Choi, J.-H., Corcelli, S. A., Dijkstra, A. G., Feng, C.-J., Garrett-Roe, S., Ge, N.-H., et al. (2020) · Chemical Reviews · doi:10.1021/acs.chemrev.9b00813 · Cited by 412
Self-citationStructure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics
Bankura, A., Karmakar, A., Carnevale, V., Chandra, A., & Klein, M. L. (2014) · The Journal of Physical Chemistry C · doi:10.1021/jp506120t · Cited by 166
Metadata
- Authors
- Asbury, J. B., Steinel, T., Kwak, K., Corcelli, S. A., Lawrence, C. P., Skinner, J. L., & Fayer, M. D.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2004-12-22
- Volume
- 121
- Issue
- 24
- Pages
- 12431-12446
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2057944173
- Cited by
- 366
- References
- 1
- FWCI
- 13.31
- Type
- journal article
- Language
- en
- Open access
- closed
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- Asbury, J. B., Steinel, T., Kwak, K., Corcelli, S. A., Lawrence, C. P., Skinner, J. L., & Fayer, M. D. (2004). Dynamics of water probed with vibrational echo correlation spectroscopy. The Journal of Chemical Physics. https://doi.org/10.1063/1.1818107
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