The DOI matches its Crossref record; 17 of the 17 references it cites were found in a registry or an index.
Photoelectron spectroscopy of Cl−, Br−, and I− solvated in water clusters
Abstract
We present the photoelectron-spectra of Cl−, Br−, and I−, solvated in water clusters-(H2O)n, where n is 1–7, 1–16, and 1–60, respectively, taken with 7.1 eV photon energy. The vertical binding energies of the solvated anions are used to extract the solvent electrostatic stabilization energies of the anion. The photoelectron spectra of the solvated I− indicate the formation of the first solvation layer with a coordination number of six. Ab initio calculations support solvation shell closure at n=6. This conclusion is not born-out by current molecular dynamics calculations. These calculations favor structures with a surface solvated anion (coordination number of 3–4) and reproduce (within 0.2 eV) our vertical binding energies. The fitting of the experimental binding energies of large I−(H2O)n to the models of classical electrostatic solvation is consistent with surface solvation. In the size range n=34–40 we have detected special cluster structures, with very low electrostatic stabilization.
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Cites
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Photoelectron spectroscopy of hydrated electron cluster anions, (H2O)−n=2–69
Coe, J. V., Lee, G. H., Eaton, J. G., Arnold, S. T., Sarkas, H. W., Bowen, K. H., Ludewigt, C., Haberland, H., & Worsnop, D. R. (1990) · The Journal of Chemical Physics · doi:10.1063/1.457805 · Cited by 524
Jortner, J. (1992) · Zeitschrift für Physik D Atoms, Molecules and Clusters · doi:10.1007/bf01425749 · Cited by 404
Many-body effects in molecular dynamics simulations of Na+(H2O)n and Cl−(H2O)n clusters
Perera, L., & Berkowitz, M. L. (1991) · The Journal of Chemical Physics · doi:10.1063/1.460992 · Cited by 341
Solvation of halide ions with water and acetonitrile in the gas phase
Hiraoka, K., Mizuse, S., & Yamabe, S. (1988) · The Journal of Physical Chemistry · doi:10.1021/j100324a051 · Cited by 246
Photoionization of Na(NH3)nand Na(H2O)nclusters: A step towards the liquid phase?
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Energy-structure relationships for microscopic solvation of anions in water clusters
Combariza, J. E., Kestner, N. R., & Jortner, J. (1994) · The Journal of Chemical Physics · doi:10.1063/1.467231 · Cited by 224
Photoelectron spectra of the hydrated iodine anion from molecular dynamics simulations
Dang, L. X., & Garrett, B. C. (1993) · The Journal of Chemical Physics · doi:10.1063/1.465203 · Cited by 207
Cited by
On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model
Topol, I. A., Tawa, G. J., Burt, S. K., & Rashin, A. A. (1999) · The Journal of Chemical Physics · doi:10.1063/1.480486 · Cited by 128
Metadata
- Authors
- Markovich, G., Pollack, S., Giniger, R., & Cheshnovsky, O.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1994-12-01
- Volume
- 101
- Issue
- 11
- Pages
- 9344-9353
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2002224144
- Cited by
- 329
- References
- 17
- FWCI
- 7.57
- Type
- journal article
- Language
- en
- Open access
- closed
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