Ultrafast X-ray photoelectron diffraction in triatomic molecules by circularly polarized attosecond light pulses

Literature Information

Publication Date 2019-12-04
DOI 10.1039/C9CP05213E
Impact Factor 3.676
Authors

André D. Bandrauk


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Abstract

We theoretically study ultrafast photoelectron diffraction in triatomic molecules with cyclic geometry by ultrafast circular soft X-ray attosecond pulses. Molecular frame photoelectron distributions show complex diffraction patterns, arising from molecular multiple center interference and circular charge migration. It is found that photoelectron diffraction patterns depend on the initial electronic state, encoding the information of molecular orbital symmetries. In a resonant coherent electron excitation process, time-resolved photoelectron diffraction patterns enables us to reconstruct the charge migration with highly spatiotemporal resolutions. We simulate and analyze the results from ab initio calculations of the single electron triangular hydrogen molecular ion H32+ which is used as a benchmark molecular system in combination with an ultrafast multi-center and multi-state photoionization model. This approach presents a general scheme which can be applied to explore circular charge migration from electron orbits and attosecond coherent electron dynamics in polyatomic systems by circular ultrafast laser pulses.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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