Capturing the photo-induced dynamics of nano-molecules by X-ray free electron laser induced Coulomb explosion

Kaoru Yamazaki, Naoyuki Niitsu, Manabu Kanno, Kiyoshi Ueda, Hirohiko Kono

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

We performed reaction dynamics simulations to demonstrate that the vibrational dynamics of C60 induced by infrared (IR) pulses can be traced by triggering Coulomb explosion with intense femtosecond X-ray free electron laser (XFEL) probe pulses. The time series of the angular anisotropy β(t) of fast C+ and C2+ fragments of C6060+ produced by such an XFEL pulse reflects the instantaneous structure of C60 vibrationally excited by IR pulses. The phases and amplitudes of excited vibrational modes and the coupling between excited modes can be successfully extracted from the expansion of β(t) in terms of vibrational modes. This proof-of-principle simulation clearly demonstrates that various information of the structures and reaction dynamics of large clusters or biomolecules can be retrieved by decomposing the experimentally determined β(t) into vibrational modes.

Original languageEnglish
Article number124305
JournalJournal of Chemical Physics
Volume151
Issue number12
DOIs
Publication statusPublished - 2019 Sep 28

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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