Journalartikel

Autorenliste: Reinwardt, Simon; Cieslik, Patrick; Buhr, Ticia; Perry-Sassmannshausen, Alexander; Schippers, Stefan; Müller, Alfred; Trinter, Florian; Martins, Michael

Jahr der Veröffentlichung: 2024

Seiten: 15519-15529

Zeitschrift: Physical Chemistry Chemical Physics

Bandnummer: 26

Heftnummer: 21

ISSN: 1463-9076

eISSN: 1463-9084

Open Access Status: Hybrid

DOI Link: https://doi.org/10.1039/d4cp00370e

Verlag: Royal Society of Chemistry

Abstract: 
Individual fingerprints of different isomers of C3H3+ cations have been identified by studying photoionization, photoexcitation, and photofragmentation of C3H3+ 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 -> pi* excitation. The C3H3+ primary ions were generated by an electron cyclotron resonance ion source. C3Hn2+ 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 C3H3+. 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 C3H3+.

Harvard-Zitierstil: Reinwardt, S., Cieslik, P., Buhr, T., Perry-Sassmannshausen, A., Schippers, S., Müller, A., et al. (2024) Isomer-specific photofragmentation of C3H3+ at the carbon K-edge, Physical Chemistry Chemical Physics, 26(21), pp. 15519-15529. https://doi.org/10.1039/d4cp00370e

APA-Zitierstil: Reinwardt, S., Cieslik, P., Buhr, T., Perry-Sassmannshausen, A., Schippers, S., Müller, A., Trinter, F., & Martins, M. (2024). Isomer-specific photofragmentation of C3H3+ at the carbon K-edge. Physical Chemistry Chemical Physics. 26(21), 15519-15529. https://doi.org/10.1039/d4cp00370e