A study of the structure and dynamics of the hydronium ion by high resolution infrared laser spectroscopy. II. The v4 perpendicular bending mode of H316O+

Martin Gruebele, Mark Polak, Richard J. Saykally

Research output: Contribution to journalArticlepeer-review

Abstract

Sixty-six lines in the v4 band of H3O+ have been measured using diode laser velocity modulation spectroscopy. 36 have been assigned to the a-a component of the spectrum and 30 to the s-s component. The observed spectra were fit to a standard symmetric top Hamiltonian including the effects of l-type doubling. The band origin of the s-s transitions is at 1625.947(5) cm-1, whereas that of the a-a component lies at 1638.533(3) cm-1. The effect of the asymmetric bending vibration on the inversion splitting is in qualitative agreement with previous theoretical results, but the experimental band origins deviate by about 60 cm-1 from calculated values. Coriolis perturbations are found to have an important effect on the rotational constants of the v4 and v2 levels.

Original languageEnglish (US)
Pages (from-to)3347-3351
Number of pages5
JournalThe Journal of Chemical Physics
Volume87
Issue number6
DOIs
StatePublished - 1987
Externally publishedYes

ASJC Scopus subject areas

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

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