Ultrafast dynamics of photoionized acetylene

Mohamed Madjet, Oriol Vendrell, Robin Santra

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

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
Volume107
Issue number26
DOIs
Publication statusPublished - 20 Dec 2011
Externally publishedYes

Fingerprint

Acetylene
acetylene
isomerization
Energy Transfer
decay
regeneration
electronics
Cations
photoionization
Regeneration
Hydrogen
energy transfer
pumps
cations
probes
hydrogen
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Ultrafast dynamics of photoionized acetylene. / Madjet, Mohamed; Vendrell, Oriol; Santra, Robin.

In: Physical Review Letters, Vol. 107, No. 26, 263002, 20.12.2011.

Research output: Contribution to journalArticle

Madjet, Mohamed ; Vendrell, Oriol ; Santra, Robin. / Ultrafast dynamics of photoionized acetylene. In: Physical Review Letters. 2011 ; Vol. 107, No. 26.
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