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Ion Mobility-Mass Spectrometry Techniques for Determining the Structure and Mechanisms of Metal Ion Recognition and Redox Activity of Metal Binding Oligopeptides
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Odd Configurations in Singly-Ionized Copper.

C Roth

    Journal of Research of the National Bureau of Standards. Section A, Physics and Chemistry
    |January 14, 2020
    PubMed
    Summary
    This summary is machine-generated.

    This study compares experimental and calculated energy levels for copper ion (Cu II) configurations. It found that 3d⁹4f and 3d⁹5f configurations have minimal interaction with other Cu II electronic configurations.

    Keywords:
    Copperenergy levelsinteraction between configurationsodd configurationsparameterssecond spectra

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    Area of Science:

    • Atomic Physics
    • Quantum Chemistry

    Background:

    • Accurate theoretical models are crucial for understanding atomic spectra.
    • Copper ion (Cu II) spectral data is essential for various astrophysical and plasma physics applications.

    Purpose of the Study:

    • To compare experimental energy levels of various Cu II configurations with theoretical calculations.
    • To investigate the electrostatic interactions between different electronic configurations of Cu II.

    Main Methods:

    • Configuration interaction calculations were performed for Cu II.
    • Experimental energy levels were compared with calculated values for configurations including 3d⁹4p, 3d⁹5p, 3d⁹6p, 3d⁸4s4p, 3d⁹4f, and 3d⁹5f.
    • Explicit consideration of electrostatic interactions between specific configurations.

    Main Results:

    • Good agreement was observed between experimental and calculated energy levels for several Cu II configurations.
    • Electrostatic interactions between the 3d⁸4s4p configuration and the 3d⁹np (n=4,5,6) configurations were explicitly calculated.
    • The 3d⁹4f and 3d⁹5f configurations of Cu II were found to exhibit weak interactions with other configurations.

    Conclusions:

    • The theoretical model provides a reliable description of the energy levels for the studied Cu II configurations.
    • The weak interaction of 3d⁹4f and 3d⁹5f configurations suggests they can be treated with less complexity in certain theoretical models.
    • This work contributes to a more comprehensive understanding of Cu II atomic structure and spectral properties.