Ultrafast dynamics of photoionized acetylene

Mohamed El Amine Madjet, Oriol Vendrell, Robin Santra

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31 Citations (Scopus)


Acetylene cations [HCCH] + produced in the A2Σg+ state by extreme ultraviolet (XUV) photoionization are investigated theoretically, based on a mixed quantum-classical approach. We show that the decay of the A2Σg+ state occurs via both ultrafast isomerization and nonradiative electronic relaxation. We find a time scale for hydrogen migration and electronic decay of about 60 fs, in good agreement with recent XUV-pump/XUV-probe time-resolved experiments on the same system. Moreover, we predict an efficient vibrational energy redistribution mechanism that quickly transfers excess energy from the isomerization coordinates to slower modes in a few hundred femtoseconds, leading to a partial regeneration of acetylenelike conformations.

Original languageEnglish
Article number263002
JournalPhysical Review Letters
Issue number26
Publication statusPublished - 20 Dec 2011


ASJC Scopus subject areas

  • Physics and Astronomy(all)

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