Infrared spectroscopy of hydrated halide ion clusters

Mitchio Okumura, Jong Ho Choi, Keith T. Kuwata, Yi Bin Cao, Bernd Michael Haas

Research output: Chapter in Book/Report/Conference proceedingConference contribution

7 Citations (Scopus)


Clusters composed of solvated ions provide a valuable prototype system for studying molecular aspects of solvation. Vibrational spectroscopy can provide insight into how the solvent structure around an ion evolves with cluster size. We describe studies which illustrate the effects of adding small numbers of solvent molecules to anions. Halide ions are among the most ubiquitous and fundamental anions in aqueous chemistry. Recent calculations and photoelectron spectroscopy experiments suggest that hydrated halide ion clusters X-(H2O)n have structures in which the anion binds to the surface of water clusters, rather than being surrounded by solvent water molecules (so-called interior states). We have observed infrared spectra for a series of solvated chloride ions which can be assigned with the aid of ab initio calculations. We find that for the chloride ion the water molecules tend to associate, but that water-water hydrogen bonds are not necessarily formed at the smallest size. Our results suggest the importance of entropic factors in these floppy clusters. Evidence is also found for a possible transition to liquid-like structures at a critical cluster size.

Original languageEnglish
Title of host publicationProceedings of SPIE - The International Society for Optical Engineering
PublisherSociety of Photo-Optical Instrumentation Engineers
Number of pages10
ISBN (Print)0819419079, 9780819419071
Publication statusPublished - 1995
Externally publishedYes
EventLaser Techniques for State-Selected and State-to-State Chemistry III - San Diego, CA, USA
Duration: 1995 Jul 121995 Jul 14


OtherLaser Techniques for State-Selected and State-to-State Chemistry III
CitySan Diego, CA, USA

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Computer Science Applications
  • Applied Mathematics
  • Electrical and Electronic Engineering


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