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Unexpected and delayed fragmentation dynamics of the organometallic ferrocene induced by ion-collision.

Fernando Aguilar-GalindoV T T NguyenR SinghAlicja DomarackaB A HuberSergio Diaz-TenderoPatrick RousseauSylvain Maclot
Published in: Physical chemistry chemical physics : PCCP (2024)
We have investigated the fragmentation dynamics of the organometallic ferrocene molecule after interaction with multiply charged ions using multicoincidence mass spectrometry and quantum chemistry calculations. We observed unexpected fragmentation dynamics of the two-body breakup channels from ferrocene dications revealing a charge screening effect from the iron atom and delayed fragmentation dynamics. These observations are rationalized through the population of a specific long-lived excited state, where one positive charge is located on each cyclopentadienyl ring.
Keyphrases
  • mass spectrometry
  • molecular dynamics
  • quantum dots
  • drug discovery
  • water soluble