Ultrafast charge redistribution in small iodine containing molecules

Autor: M Hollstein, K Mertens, S Klumpp, N Gerken, S Palutke, I Baev, G Brenner, S Dziarzhytski, M Meyer, W Wurth, D Pfannkuche, M Martins
Jazyk: angličtina
Rok vydání: 2019
Předmět:
Zdroj: New Journal of Physics, Vol 21, Iss 3, p 033017 (2019)
Druh dokumentu: article
ISSN: 1367-2630
DOI: 10.1088/1367-2630/ab1056
Popis: We present studies on intra-molecular charge redistribution in iodine containing molecules upon iodine-4d photoionization. For this, we employed an XUV-pump-XUV-probe scheme based on time-delayed femtosecond pulses delivered by the free-electron laser at DESY in Hamburg (FLASH). The experimental results show delay dependent and molecule-specific iodine charge state distributions that arise upon multiple iodine-4d photoionization. Using the example of CH _3 I and CH _2 I _2 , we compare the delay-dependent yields of I ^3+ . We model the involved processes using advanced ab initio electronic structure calculations which include electron correlations combined with a classical model of the nuclear motion. The qualitative agreement of our model with the experimental results allows us to relate the observed, strongly molecule-specific efficiencies of the intra-molecular charge rearrangement not only to molecule-specific fragmentation timescales but also to molecule-specific electronic structure and molecular environment.
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