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| Home > Publications database > Isomer-specific photofragmentation of C$_3$H$_3$$^+$ at the carbon K-edge |
| Journal Article | PUBDB-2024-01974 |
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2024
RSC Publ.
Cambridge
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Please use a persistent id in citations: doi:10.1039/D4CP00370E doi:10.3204/PUBDB-2024-01974
Abstract: Individual fingerprints of different isomers of C$_3$H$_3$$^+$ cations have been identified by studying photoionization, photoexcitation, and photofragmentation of C$_3$H$_3$$^+$ near the carbon K-edge. The experiment was performed employing the photon-ion merged-beams technique at the photon-ion spectrometer at PETRA III (PIPE). This technique is a variant of near-edge X-ray absorption fine-structure spectroscopy, which is particularly sensitive to the 1s → π* excitation. The C$_3$H$_3$$^+$ primary ions were generated by an electron cyclotron resonance ion source. C$_3$H$_n^{2+}$ product ions with n = 0, 1, 2, and 3 were observed for photon energies in the range of 279.0 eV to 295.2 eV. The experimental spectra are interpreted with the aid of theoretical calculations within the framework of time-dependent density functional theory. To this end, absorption spectra have been calculated for three different constitutional isomers of C$_3$H$_3$$^+$. We find that our experimental approach offers a new possibility to study at the same time details of the electronic structure and of the geometry of molecular ions such as C$_3$H$_3$$^+$.
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