This study predicts the C1s X-ray absorption spectra and vibronic fine structure of CN+, CN, and CN-, assigning first peaks to sigma* (cation, neutral) and pi* (anion) transitions, with 0-0 energies of 280.7, 279.6, and 285.8 eV.
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Predicting Accurate X-ray Absorption Spectra for CN$^+$, CN, and CN$^-$: Insights from Multiconfigurational and Density Functional Simulations
This study predicts the C1s X-ray absorption spectra and vibronic fine structure of CN+, CN, and CN-, assigning first peaks to sigma* (cation, neutral) and pi* (anion) transitions, with 0-0 energies of 280.7, 279.6, and 285.8 eV.