| Autor: |
Madjet Mel-A; Center for Free-Electron Laser Science, DESY, Notkestrasse 85, D-22607 Hamburg, Germany., Vendrell O, Santra R |
| Jazyk: |
angličtina |
| Zdroj: |
Physical review letters [Phys Rev Lett] 2011 Dec 23; Vol. 107 (26), pp. 263002. Date of Electronic Publication: 2011 Dec 20. |
| DOI: |
10.1103/PhysRevLett.107.263002 |
| Abstrakt: |
Acetylene cations [HCCH](+) produced in the A(2)Σ(g)(+) state by extreme ultraviolet (XUV) photoionization are investigated theoretically, based on a mixed quantum-classical approach. We show that the decay of the A(2)Σ(g)(+) 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 [Phys. Rev. Lett. 105, 263002 (2010)]. 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. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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