X-ray Molecular Spectroscopic Dynamics

Leone, Stephen R.

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https://hdl.handle.net/2142/116956 Copy

Description

Title

X-ray Molecular Spectroscopic Dynamics

Author(s)

Leone, Stephen R.

Issue Date

2022-06-21

Keyword(s)

Mini-symposium: Spectroscopy meets Chemical Dynamics

Abstract

Ultrafast X-ray spectroscopic investigations and molecular dynamics are now approachable with short pulses of laboratory, laser-produced high-order harmonics. Those X-rays probe transitions from localized inner shells of specific atomic sites in the molecules to valence orbitals, conveying new information about photochemical transformations. The interpretations of these spectra involve a new regime of core-to-valence X-ray probing that depends on energy shifts due to the surrounding electronic densities, spin coupling effects, energy shifts due to bond elongation with vibrational excitation, and even Jahn-Teller distortions. Coherent vibrational superpositions reveal different slopes of inner shell potentials with bond extension and Fermi resonance coupling, for the first time, in the X-ray. Open shell radicals have characteristic features of singly occupied orbitals and energetic shifts upon bond cleavage, which can be viewed from the localized atomic perspective. Corresponding theory work by collaborators provides a powerful assessment of the X-ray spectroscopic dynamics. Progress for revealing the full potential of time-resolved X-ray spectroscopy for the investigation of numerous novel features in molecular photochemistry is discussed.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116956&&

DOI

https://doi.org/10.15278/isms.2022.TA01

Copyright and License Information

Copyright 2022 held by the authors

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