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Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction
Abstract
X-ray vision catches Woodward-Hoffmann: The celebrated Woodward-Hoffmann (W-H) rules rationalize a variety of rapid bond rearrangements in organic molecules. The key insight involved symmetry conservation in the electronic journey from reactant to product. Attar et al. now report femtosecond x-ray absorption spectra and accompanying simulation studies that track shifts in carbon electronic states during one such reaction: the photochemical ring opening of cyclohexadiene to hexatriene (see the Perspective by Sension). The smooth evolution that occurs in the vicinity of the pericyclic minimum provides direct affirmation of the W-H framework. Moreover, the use of a convenient tabletop apparatus bodes well for future x-ray studies of ultrafast electronic dynamics. Science , this issue p. 54 ; see also p. 31
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“At photon energies up to 300 eV, the state-ofthe-art in x-ray transient-absorption dynamics (based on femtosecond high harmonics) has been used to measure excited-state ring opening of cyclohexadiene [216] (figure 26)”
From Roadmap of ultrafast x-ray atomic and molecular physics (2018) · cites this paper as [216]
In the citing paper
“X-ray fs identification of the key transition state labeled 2 A, blue points, for ring opening of cyclohexadiene.”
From Roadmap of ultrafast x-ray atomic and molecular physics (2018) · cites this paper as [216]
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Metadata
- Authors
- Attar, A. R., Bhattacherjee, A., Pemmaraju, C. D., Schnorr, K., Closser, K. D., Prendergast, D., & Leone, S. R.
- Affiliations
- Lawrence Berkeley National Laboratory (US)
- Corresponding author
- Leone, Stephen R.
- ORCID
- Venue
- Science
- Published
- 2017-04-07
- Volume
- 356
- Issue
- 6333
- Pages
- 54-59
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2604515236
- Cited by
- 338
- References
- 63
- Citations by year
- 2026: 21 · 2025: 21 · 2024: 31 · 2023: 30 · 2022: 38 · 2021: 51 · 2020: 51 · 2019: 40 · 2018: 42 · 2017: 12
- FWCI
- 19.46
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Science (publishedVersion)
- PubMed (publishedVersion)
- eScholarship (California Digital Library) (submittedVersion)
- OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion)
- Funders
- National Science Foundation (award299191, EEC-0310717)
- U.S. Department of Energy (award299187, DE-AC02-05CH11231, award302135, DE-AC02-76SF00515)
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Laser-Matter Interactions and Applications
- Physical Sciences › Physics and Astronomy › Radiation › X-ray Spectroscopy and Fluorescence Analysis
- Physical Sciences › Physics and Astronomy › Radiation › Advanced X-ray Imaging Techniques
- Keywords
- electrocyclic ring opening, 1,3-cyclohexadiene, valence electronic structure, carbon K-edge, nonadiabatic relaxation, femtosecond dynamics
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