ArticleStructural dynamics (Melville, N.Y.)2017
Monitoring nonadiabatic avoided crossing dynamics in molecules by ultrafast X-ray diffraction.
Article in Structural dynamics (Melville, N.Y.), 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Transient-Absorption Pump-Probe Spectra as Information-Rich Observables: Case Study of Fulvene.Molecules (Basel, Switzerland) · 2025Article
- Attosecond electron microscopy and diffraction.Science advances · 2024Article
- Signatures of electronic and nuclear coherences in ultrafast molecular x-ray and electron diffraction.Structural dynamics (Melville, N.Y.) · 2021Article
- Ultrafast Spectroscopy of Photoactive Molecular Systems from First Principles: Where We Stand Today and Where We Are Going.Journal of the American Chemical Society · 2020Article
- On the limits of observing motion in time-resolved X-ray scattering.Philosophical transactions. Series A, Mathematical, physical, and engineering sciences · 2019Article
- Monitoring molecular nonadiabatic dynamics with femtosecond X-ray diffraction.Proceedings of the National Academy of Sciences of the United States of America · 2018Article
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Authors and funding
3 authors.
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Abstract
We examine time-resolved X-ray diffraction from molecules in the gas phase which undergo nonadiabatic avoided-crossing dynamics involving strongly coupled electrons and nuclei. Several contributions to the signal are identified, representing (in decreasing strength) elastic scattering, contributions of the electronic coherences created by nonadiabatic couplings in the avoided crossing regime, and inelastic scattering. The former probes the charge density and delivers direct information on the evolving molecular geometry. The latter two contributions are weaker and carry spatial information through the transition charge densities (off-diagonal elements of the charge-density operator). Simulations are presented for the nonadiabatic harpooning process in the excited state of sodium fluoride.
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