Infrared spectroscopy of large protonated water clusters H +(H2O)20-50 cooled by inert gas attachment

Kenta Mizuse, Asuka Fujii

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25 Citations (Scopus)


We report infrared spectra of protonated water clusters H +(H2O)n (n = 20-50) cooled by H2 tagging. IR spectra show sharper features, validating the cooling effect of the H2 attachment even for the large clusters. Furthermore, the H 2-mediated spectrum has indicated the origin of the first antimagic number (n = 22), which is a dangling water molecule on the cluster surface [K. Mizuse, A. Fujii, J. Phys. Chem. Lett. 2 (2011) 2130]. On the other hand, for the second magic (n = 28) and antimagic (n = 29) number clusters, no apparent difference is observed by the H2 tagging. IR spectra of Ar-tagged H+(H2O)20-22 are also measured. These spectra also show sharper features, however, no signature for the dangling water molecule is seen in n = 22. This result implies there are multiple isomer types in the n = 22 cluster and the observable type might vary with the choice of the inert gas for tagging.

Original languageEnglish
Pages (from-to)2-7
Number of pages6
JournalChemical Physics
Publication statusPublished - 2013


  • Hydrogen bond network
  • Internal energy dependence
  • Photodissociation spectroscopy
  • Thermal dynamics
  • Water chemistry

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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