Characterization of hydrated Na+(phenol) and K+(phenol) complexes using infrared spectroscopy

Timothy D. Vaden, James M. Lisy

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42 Scopus citations


The IR spectra of hydrated M+(Phenol) cluster ions as well as M+(Phenol)Ar for M=Na and K was measured. Ab initio calculations at the MP2/6-31G* level indicated that negligible changes in frequencies and relative energies occurred with the addition of the argon to the M+(Phenol) structures, so that the M+(Phenol)Ar spectra were useful for understanding the bare M+(Phenol) complexes. By comparing the O-H stretch transition in the M+(Phenol)Ar spectra to MP2/6-31G* structures and scaled frequencies for the M+(Phenol) complexes, it was evident that both the σ-configuration and π-configuration were present in Na+(Phenol)Ar while on the π-configuration was present in K+(Phenol)Ar.

Original languageEnglish (US)
Pages (from-to)721-730
Number of pages10
JournalJournal of Chemical Physics
Issue number2
StatePublished - Jan 8 2004
Externally publishedYes

All Science Journal Classification (ASJC) codes

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


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