$${{{v}}_{2}}$$ -Dependences of the Rotational Contributions to the Effective Dipole Moment of the H2O Molecule and Their Effect on the Broadening and Shift of Lines Induced by the Pressure of Buffer Gases

V. I. Starikov

    Research output: Contribution to journalArticle

    Abstract

    Abstract: The dependences of the rotational contributions to the effective dipole moment of the H2O molecule on vibrational quantum number $${{{v}}_{2}}$$, which corresponds to the large-amplitude bending vibration of the molecule, have been determined numerically. Different representations for the dipole moment surface of the H2O molecule and different potential functions that determine the set of vibrational states E($${{{v}}_{2}}$$) have been used in calculations. The effect of the calculated contributions on the broadening and shift of H2O lines induced by the pressure of argon, krypton, hydrogen, and helium has been analyzed. It has been shown that this effect is significant for the shift of rotational lines and for the shift of lines from the vibrational bands for which the difference between the values of rotational quantum number Ka from the upper and lower states of the transition is greater than or equal to 3.

    Original languageEnglish
    Pages (from-to)199-206
    Number of pages8
    JournalOptics and Spectroscopy
    Volume127
    Issue number2
    DOIs
    Publication statusPublished - 1 Aug 2019

    Fingerprint

    Dipole moment
    Buffers
    dipole moments
    buffers
    Gases
    quantum numbers
    Molecules
    shift
    gases
    Krypton
    molecules
    Helium
    bending vibration
    Argon
    krypton
    vibrational states
    Hydrogen
    helium
    argon
    hydrogen

    Keywords

    • broadening and shift of spectral lines
    • dipole moment
    • water molecule

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Atomic and Molecular Physics, and Optics

    Cite this

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    abstract = "Abstract: The dependences of the rotational contributions to the effective dipole moment of the H2O molecule on vibrational quantum number $${{{v}}_{2}}$$, which corresponds to the large-amplitude bending vibration of the molecule, have been determined numerically. Different representations for the dipole moment surface of the H2O molecule and different potential functions that determine the set of vibrational states E($${{{v}}_{2}}$$) have been used in calculations. The effect of the calculated contributions on the broadening and shift of H2O lines induced by the pressure of argon, krypton, hydrogen, and helium has been analyzed. It has been shown that this effect is significant for the shift of rotational lines and for the shift of lines from the vibrational bands for which the difference between the values of rotational quantum number Ka from the upper and lower states of the transition is greater than or equal to 3.",
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    TY - JOUR

    T1 - $${{{v}}_{2}}$$ -Dependences of the Rotational Contributions to the Effective Dipole Moment of the H2O Molecule and Their Effect on the Broadening and Shift of Lines Induced by the Pressure of Buffer Gases

    AU - Starikov, V. I.

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    N2 - Abstract: The dependences of the rotational contributions to the effective dipole moment of the H2O molecule on vibrational quantum number $${{{v}}_{2}}$$, which corresponds to the large-amplitude bending vibration of the molecule, have been determined numerically. Different representations for the dipole moment surface of the H2O molecule and different potential functions that determine the set of vibrational states E($${{{v}}_{2}}$$) have been used in calculations. The effect of the calculated contributions on the broadening and shift of H2O lines induced by the pressure of argon, krypton, hydrogen, and helium has been analyzed. It has been shown that this effect is significant for the shift of rotational lines and for the shift of lines from the vibrational bands for which the difference between the values of rotational quantum number Ka from the upper and lower states of the transition is greater than or equal to 3.

    AB - Abstract: The dependences of the rotational contributions to the effective dipole moment of the H2O molecule on vibrational quantum number $${{{v}}_{2}}$$, which corresponds to the large-amplitude bending vibration of the molecule, have been determined numerically. Different representations for the dipole moment surface of the H2O molecule and different potential functions that determine the set of vibrational states E($${{{v}}_{2}}$$) have been used in calculations. The effect of the calculated contributions on the broadening and shift of H2O lines induced by the pressure of argon, krypton, hydrogen, and helium has been analyzed. It has been shown that this effect is significant for the shift of rotational lines and for the shift of lines from the vibrational bands for which the difference between the values of rotational quantum number Ka from the upper and lower states of the transition is greater than or equal to 3.

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