ArticleProceedings of the National Academy of Sciences of the United States of America2021
Ultrafast X-ray scattering offers a structural view of excited-state charge transfer.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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17 citing papers in PubMed.
- Liquid jet capabilities for ultrafast chemistry at the SwissFEL Alvra instrument.Journal of synchrotron radiation · 2026Article
- The Importance of Going beyond the Independent Atom Model When Predicting UED Signals from Simulations.Journal of chemical theory and computation · 2026Article
- Tracking polar solvation dynamics of a photoexcited organic chromophore with ultrafast X-ray scattering.Nature communications · 2026Article
- Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics.The journal of physical chemistry. A · 2025Review
- Probing Molecular Properties at Atomic Length Scale Using Charge-State Control.Chemical reviews · 2025Review
- Revealing the reaction path of UVC bond rupture in cyclic disulfides with ultrafast x-ray scattering.Science advances · 2025Article
- Pushing the limits of ultrafast diffraction: Imaging quantum coherences in isolated molecules.iScience · 2024Review
- The laser pump X-ray probe system at LISA P08 PETRA III.Journal of synchrotron radiation · 2024Article
- The Ring-Closing Reaction of Cyclopentadiene Probed with Ultrafast X-ray Scattering.The journal of physical chemistry. A · 2024Article
- A comparative review of time-resolved x-ray and electron scattering to probe structural dynamics.Structural dynamics (Melville, N.Y.) · 2024Review
- Chemical bond reorganization in intramolecular proton transfer revealed by ultrafast X-ray photoelectron spectroscopy.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Extracting the electronic structure signal from X-ray and electron scattering in the gas phase.Journal of synchrotron radiation · 2024Article
- Rydberg electron stabilizes the charge localized state of the diamine cation.Nature communications · 2024Article
- Transient vibration and product formation of photoexcited CSThe Journal of chemical physics · 2022Article
- Ultrafast Charge Relocation Dynamics in Enol-Keto Tautomerization Monitored with a Local Soft-X-ray Probe.The journal of physical chemistry letters · 2022Article
- Reaction dynamics studiedChemical science · 2022Review
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18 authors.
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Abstract
Intramolecular charge transfer and the associated changes in molecular structure in N,N'-dimethylpiperazine are tracked using femtosecond gas-phase X-ray scattering. The molecules are optically excited to the 3p state at 200 nm. Following rapid relaxation to the 3s state, distinct charge-localized and charge-delocalized species related by charge transfer are observed. The experiment determines the molecular structure of the two species, with the redistribution of electron density accounted for by a scattering correction factor. The initially dominant charge-localized state has a weakened carbon-carbon bond and reorients one methyl group compared with the ground state. Subsequent charge transfer to the charge-delocalized state elongates the carbon-carbon bond further, creating an extended 1.634 Å bond, and also reorients the second methyl group. At the same time, the bond lengths between the nitrogen and the ring-carbon atoms contract from an average of 1.505 to 1.465 Å. The experiment determines the overall charge transfer time constant for approaching the equilibrium between charge-localized and charge-delocalized species to 3.0 ps.
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