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• W2991291202 abstract "Single-site Double-Core Hole (ss-DCH or K−2) and two-site Double-Core Hole (ts-DCH or K−1K−1) photoelectron spectra including satellite lines were experimentally recorded for the aromatic C6H6 molecule using the synchrotron radiation and multielectron coincidence technique. Density functional theory and post-Hartree-Fock simulations providing binding energies and relative intensities allow us to clearly assign the main K−2 line and its satellites. K−1K−1 states’ positions and assignments are further identified using a core-equivalent model. We predict that, contrary to what has been observed in the C2H2n series of molecules, the K−1K−1 energy-level ordering in C6H6 does not reflect the core-hole distances between the two holes." @default.
• W2991291202 created "2019-12-05" @default.
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• W2991291202 date "2019-12-07" @default.
• W2991291202 modified "2023-10-10" @default.
• W2991291202 title "Double-core ionization photoelectron spectroscopy of C₆H₆: Breakdown of the “intuitive” <i>ortho</i>-<i>meta</i>-<i>para</i> binding energy ordering of K−1K−1 states" @default.
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• W2991291202 doi "https://doi.org/10.1063/1.5128614" @default.
• W2991291202 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31822078" @default.
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