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

Razib Obaid, Kirsten Schnorr, Thomas J.A. Wolf, Tsukasa Takanashi, Nora G. Kling, Kuno Kooser, Kiyonobu Nagaya, Shin Ichi Wada, Li Fang, Sven Augustin, Daehyun You, Eleanor E.B. Campbell, Hironobu Fukuzawa, Claus P. Schulz, Kiyoshi Ueda, Pascal Lablanquie, Thomas Pfeifer, Edwin Kukk, Nora Berrah

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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.

Original languageEnglish
Article number104308
JournalJournal of Chemical Physics
Issue number10
StatePublished - 14 Sep 2019

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