Velocity map imaging spectroscopy of C2H-and C2D-: A benchmark study of vibronic coupling interactions
Final Published Version
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PublisherAmerican Institute of Physics Inc.
CitationLaws, 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).
JournalJournal of Chemical Physics
RightsCopyright © 2022 Author(s). Published under an exclusive license by AIP Publishing.
Collection InformationThis 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 firstname.lastname@example.org.
AbstractHigh-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).
Note12 month embargo; published online: 01 August 2022
VersionFinal published version
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