X-ray induced fragmentation of fulminic acid, HCNO

The fragmentation of fulminic acid, HCNO, after excitation and ionization of core electrons was investigated using Auger-electron–photoion coincidence spectroscopy. A considerable degree of site-selectivity is observed. Ionization of the carbon and oxygen 1s electron leads to around 70% CH+ + NO+, w...

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Veröffentlicht in:The Journal of chemical physics 2023-09, Vol.159 (11)
Hauptverfasser: Gerlach, Marius, Schaffner, Dorothee, Preitschopf, Tobias, Karaev, Emil, Bozek, John, Holzmeier, Fabian, Fischer, Ingo
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Sprache:eng
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Zusammenfassung:The fragmentation of fulminic acid, HCNO, after excitation and ionization of core electrons was investigated using Auger-electron–photoion coincidence spectroscopy. A considerable degree of site-selectivity is observed. Ionization of the carbon and oxygen 1s electron leads to around 70% CH+ + NO+, while ionization at the central N-atom produces only 37% CH+ + NO+, but preferentially forms O+ + HCN+ and O+ + CN+. The mass-selected Auger-electron spectra show that these fragments are associated with higher binding energy final states. Furthermore, ionization of the C 1s electron leads to a higher propensity for C–H bond fission compared to O 1s ionization. Following resonant Auger–Meitner decay after 1s → 3π excitation, 12 different ionic products are formed. At the C 1s edge, the parent ion HCNO+ is significantly more stable compared to the other two edges, which we also attribute to the higher contribution of final states with low binding energies in the C 1s resonant Auger electron spectra.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0167395