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

Research output: Contribution to journalArticle

  • 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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Original languageEnglish
Pages (from-to)104308
JournalThe Journal of Chemical Physics
Issue number10
Early online date13 Sep 2019
Publication statusE-pub ahead of print - 13 Sep 2019


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 (h ν = 4.55 keV), an Auger cascade leads predominantly to either a vibrationally cold multiply charged parent molecule or multi-fragmentation 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 (h ν = 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 timescale.

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