Kyle J. Wilkin, Robert M. Parrish, Jie Yang, Thomas J. A. Wolf, J. Pedro F. Nunes, Markus Gühr, Renkai Li, Xiaozhe Shen, Qiang Zheng, Xijie Wang, Todd J. Martinez, Martin Centurion
- We have investigated the structural dynamics in photoexcited 1,2-diiodotetrafluoroethane molecules (C2F4I2) in the gas phase experimentally using ultrafast electron diffraction and theoretically using FOMO-CASCI excited-state dynamics simulations. The molecules are excited by an ultraviolet femtosecond laser pulse to a state characterized by a transition from the iodine 5p perpendicular to orbital to a mixed 5p parallel to sigma hole and CF2 center dot antibonding orbital, which results in the cleavage of one of the carbon-iodine bonds. We have observed, with sub-Angstrom resolution, the motion of the nuclear wave packet of the dissociating iodine atom followed by coherent vibrations in the electronic ground state of the C2F4I radical. The radical reaches a stable classical (nonbridged) structure in less than 200 fs.
MetadatenAuthor details: | Kyle J. Wilkin, Robert M. Parrish, Jie Yang, Thomas J. A. Wolf, J. Pedro F. Nunes, Markus GührORCiDGND, Renkai Li, Xiaozhe Shen, Qiang Zheng, Xijie Wang, Todd J. Martinez, Martin Centurion |
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DOI: | https://doi.org/10.1103/PhysRevA.100.023402 |
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ISSN: | 2469-9926 |
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ISSN: | 2469-9934 |
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Title of parent work (English): | Physical review : A, Atomic, molecular, and optical physics |
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Publisher: | American Physical Society |
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Place of publishing: | College Park |
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Publication type: | Article |
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Language: | English |
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Date of first publication: | 2019/08/02 |
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Publication year: | 2019 |
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Release date: | 2020/12/02 |
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Volume: | 100 |
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Issue: | 2 |
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Number of pages: | 10 |
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Funding institution: | U.S. Department of Energy (DOE) Office of Basic Energy Sciences (BES) SUF Division Accelerator and Detector RD programUnited States Department of Energy (DOE); LCLS Facility; SLACStanford UniversityUnited States Department of Energy (DOE) [DE-AC02-05-CH11231, DE-AC02-76SF00515]; U.S. Department of Energy (DOE) Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, AMOS programUnited States Department of Energy (DOE) [DE-SC0014170]; U.S. Department of Energy (DOE) Office of Basic Energy Science AMOS programUnited States Department of Energy (DOE); Lichtenberg professorship of the Volkswagen Foundation |
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Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie |
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DDC classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
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Peer review: | Referiert |
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Publishing method: | Open Access / Green Open-Access |
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