Reanalysis of experimental data for the interacting states (0,2,0), (1,0,0) and (0,0,1) of H2O

V. I. Starikov

    Research output: Contribution to journalArticle

    9 Citations (Scopus)

    Abstract

    A new theoretical model of an effective Hamiltonian for nonrigid H2X- type molecules, based on the generating function approach, is applied to the experimental data of the first triad of interacting states of H2O. The influence of large-amplitude motion on the Fermi-type interaction between (0,2,0) and (1,0,0), and the Coriolis-type interaction between (1,0,0) and (0,0,1), as well as between (0,2,0) and (0,0,1), are taken into account. The results of fitting rotational levels of the three vibrational states of H2O up to J = 10, 15, 20 and 30 are discussed. The experimental energy levels up to J = 10 and 15 are fitted with average discrepancies of σ = 1.3 x 10-3 and 4.5 x 10-3 cm-1, respectively. A large number of calculated rotational levels for the bending (0,2,0) state are also presented.

    Original languageEnglish
    Pages (from-to)73-84
    Number of pages12
    JournalJournal of Molecular Structure
    Volume384
    Issue number1
    DOIs
    Publication statusPublished - 20 Oct 1996

    Keywords

    • Coriolis interaction
    • Fermi resonance interaction
    • Rotation-vibration states
    • Water

    ASJC Scopus subject areas

    • Analytical Chemistry
    • Spectroscopy
    • Organic Chemistry
    • Inorganic Chemistry

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