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Photo-ionization and fragmentation of Sc3N@C80 following excitation above the Sc K-edge

MPS-Authors
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Schnorr,  Kirsten
Division Prof. Dr. Thomas Pfeifer, MPI for Nuclear Physics, Max Planck Society;

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Pfeifer,  Thomas
Division Prof. Dr. Thomas Pfeifer, MPI for Nuclear Physics, Max Planck Society;

External Ressource

https://doi.org/10.1063/1.5110297
(Publisher version)

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Citation

Obaid, R., Schnorr, K., Wolf, T. J. A., Takanashi, T., Kling, N. G., Kooser, K., et al. (2019). Photo-ionization and fragmentation of Sc3N@C80 following excitation above the Sc K-edge. The Journal of Chemical Physics, 151(10): 104308. doi:10.1063/1.5110297.


Cite as: http://hdl.handle.net/21.11116/0000-0004-D26B-7
Abstract
We have investigated the ionization and fragmentation of a metallo-endohedral fullerene, Sc3N@C80, using ultrashort (10 fs) x-ray pulses. Following selective ionization of a Sc (1s) electron (hν = 4.55 keV), an Auger cascade leads predominantly to either a vibrationally cold multiply charged parent molecule or multifragmentation of the carbon cage following a phase transition. In contrast to previous studies, no intermediate regime of C2 evaporation from the carbon cage is observed. A time-delayed, hard x-ray pulse (hν = 5.0 keV) was used to attempt to probe the electron transfer dynamics between the encapsulated Sc species and the carbon cage. A small but significant change in the intensity of Sc-containing fragment ions and coincidence counts for a delay of 100 fs compared to 0 fs, as well as an increase in the yield of small carbon fragment ions, may be indicative of incomplete charge transfer from the carbon cage on the sub-100 fs time scale.