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    Velocity map imaging spectroscopy of C2H-and C2D-: A benchmark study of vibronic coupling interactions

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    5.0100297.pdf
    Embargo:
    2023-08-01
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    Author
    Laws, B.A.
    Levey, Z.D.
    Sanov, A.
    Stanton, J.F.
    Schmidt, T.W.
    Gibson, S.T.
    Issue Date
    2022
    
    Metadata
    Show full item record
    Publisher
    American Institute of Physics Inc.
    Citation
    Laws, B. A., Levey, Z. D., Sanov, A., Stanton, J. F., Schmidt, T. W., & Gibson, S. T. (2022). Velocity map imaging spectroscopy of C2H-and C2D-: A benchmark study of vibronic coupling interactions. Journal of Chemical Physics, 157(4).
    Journal
    Journal of Chemical Physics
    Rights
    Copyright © 2022 Author(s). Published under an exclusive license by AIP Publishing.
    Collection Information
    This item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.
    Abstract
    High-resolution velocity-map imaged photoelectron spectra of the ethynyl anions C2H- and C2D- are measured at photon wavelengths between 355 and 266 nm to investigate the complex interactions between the closely lying X 2ς+ and A 2Π electronic states. An indicative kinetic energy resolution of 0.4%, together with the full angular dependence of the fast electrons, provides a detailed description of the vibronically coupled structure. It is demonstrated that a modest quadratic vibronic coupling model, parameterized by the quasidiabatic ansatz, is sufficient to accurately recreate all the observed vibronic interactions. Simulated spectra are shown to be in excellent agreement with the experimental data, verifying the proposed model and providing a framework that may be used to accurately simulate spectra of larger C2nH monohydride carbon chains. New spectral assignments are supported by experimental electron anisotropy measurements and Dyson orbital calculations. © 2022 Author(s).
    Note
    12 month embargo; published online: 01 August 2022
    ISSN
    0021-9606
    PubMed ID
    35922361
    DOI
    10.1063/5.0100297
    Version
    Final published version
    ae974a485f413a2113503eed53cd6c53
    10.1063/5.0100297
    Scopus Count
    Collections
    UA Faculty Publications

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