New analysis of experimental data for the second hexad {(050), (130), (210), (012), (031), (111)} of H2/16O molecule interacting states

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    8 Citations (Scopus)

    Abstract

    A new theoretical model of an effective Hamiltonian for non-rigid H2X-type molecules, based on the generating function approach, is applied to the experimental energy levels of the second hexad of interacting states of H2O. The experimental energy levels for J ≤ 11 and J ≤ 15 of the 5 vibrational states {(130), (210), (111), (012), (031)} are fitted with an average discrepancy r.m.s. = 12.0 x 10-3 cm-1 and r.m.s. = 14.4 x 10-3 cm-1, respectively. The influence of interactions of the mentioned pentad with (050) and (060) vibration states is discussed.

    Original languageEnglish
    Pages (from-to)39-51
    Number of pages13
    JournalJournal of Molecular Structure
    Volume449
    Issue number1
    DOIs
    Publication statusPublished - 4 Aug 1998

    Keywords

    • H/O
    • Hamiltonian
    • Second hexad

    ASJC Scopus subject areas

    • Structural Biology
    • Organic Chemistry
    • Physical and Theoretical Chemistry
    • Spectroscopy
    • Atomic and Molecular Physics, and Optics

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