Effective dipole-moment operator for nonrigid H2X-type molecules. Application to H2O

    Результат исследований: Материалы для журналаСтатьярецензирование

    10 Цитирования (Scopus)

    Аннотация

    A theory of the transformed dipole moment operator for nonrigid H2X-type molecules has been worked out using the method of contact transformation. The treatment takes into account the large amplitude bending motion, which is described by the coordinate ρ{variant}. Formulae obtained for the transformed dipole moment operator for bending vibration quantum bands and for combination bands have been used for the determination of the functions μex(ρ{variant}), μ1x(ρ{variant}) and μ3z(ρ{variant}) from the expansion of the molecular fixed component μα(ρ{variant}, q) (α = x, y, z) of the electric dipole moment of the H2O molecule over q normal coordinates. Some different model forms for this function have been used.

    Язык оригиналаАнглийский
    Страницы (с-по)119-131
    Число страниц13
    ЖурналJournal of Molecular Structure
    Том271
    Номер выпуска1-2
    DOI
    СостояниеОпубликовано - 15 авг 1992

    ASJC Scopus subject areas

    • Analytical Chemistry
    • Spectroscopy
    • Organic Chemistry
    • Inorganic Chemistry

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