Imaging CF3I conical intersection and photodissociation dynamics with ultrafast 
electron diffraction

Yang, J.; Zhu, X.; Wolf, T. J. A.; Li, Z.; Nunes, J. P. F.; Coffee, R.; Cryan, J. P.; Gühr, M.; Hegazy, K.; Heinz, T. F.; Jobe, K.; Li, R.; Shen, X.; Veccione, T.; Weathersby, S.; Wilkin, K. J.; Yoneda, C.; Zheng, Q.; Martinez, T. J.; Centurion, M.; Wang, X.

doi:10.1126/science.aat0049

Imaging CF₃I conical intersection and photodissociation dynamics with ultrafast electron diffraction

Yang, J., Zhu, X., Wolf, T. J. A., Li, Z., Nunes, J. P. F., Coffee, R., Cryan, J. P., Gühr, M., Hegazy, K., Heinz, T. F., Jobe, K., Li, R., Shen, X., Veccione, T., Weathersby, S., Wilkin, K. J., Yoneda, C., Zheng, Q., Martinez, T. J., Centurion, M., & Wang, X. (2018). Imaging CF₃I conical intersection and photodissociation dynamics with ultrafast electron diffraction. Science, 361(6397), 64-67. doi:10.1126/science.aat0049.

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アイテムのパーマリンク: https://hdl.handle.net/21.11116/0000-0001-BCA4-2 版のパーマリンク: https://hdl.handle.net/21.11116/0000-0006-D66D-F

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pdf: Materials and Methods, Supplementary Text, Figs. S1 to S17, Table S1, References | mp4: This movie shows the structural response of CF3 group during dissociation, and is made with data shown in Table S1, or Fig. 4D in the main text. The motion is presented in the rest frame of the carbon atom. The left-hand side gives a ball-and-stick model of the molecule, and the righthand side shows a zoom-in view of the trajectory of one of the fluorine atoms. C-F bond length and F-C-F bond angle are displayed in the bottom right.

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Yang, J.^{1, 2}, 著者
Zhu, X.^{2, 3}, 著者
Wolf, T. J. A.², 著者
Li, Z.^{2, 4, 5}, 著者
Nunes, J. P. F.⁶, 著者
Coffee, R.^{2, 7, 8}, 著者
Cryan, J. P.², 著者
Gühr, M.^{2, 9}, 著者
Hegazy, K.^{2, 8}, 著者
Heinz, T. F.^{2, 10}, 著者
Jobe, K.¹, 著者
Li, R.¹, 著者
Shen, X.¹, 著者
Veccione, T.¹, 著者
Weathersby, S.¹, 著者
Wilkin, K. J.¹¹, 著者
Yoneda, C.¹, 著者
Zheng, Q.¹, 著者
Martinez, T. J.^{2, 3}, 著者
Centurion, M.¹¹, 著者
Wang, X.¹, 著者全て表示

所属:
1SLAC National Accelerator Laboratory, Menlo Park, ou_persistent22
2Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, ou_persistent22
3Department of Chemistry, Stanford University, Stanford, ou_persistent22
4Center for Free Electron Laser Science, Deutsches Elektronen-Synchrotron (DESY), Hamburg, ou_persistent22
5Atomically Resolved Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938286
6Department of Chemistry, University of York, Heslington, ou_persistent22
7Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, ou_persistent22
8Department of Physics, Stanford University, Stanford, ou_persistent22
9Institut für Physik und Astronomie, Universität Potsdam, Potsdam, ou_persistent22
10Department of Applied Physics, Stanford University, Stanford, ou_persistent22
11Department of Physics and Astronomy, University of Nebraska–Lincoln, Lincoln, ou_persistent22

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要旨: Conical intersections play a critical role in excited-state dynamics of polyatomic molecules because they govern the reaction pathways of many nonadiabatic processes. However, ultrafast probes have lacked sufficient spatial resolution to image wave-packet trajectories through these intersections directly. Here, we present the simultaneous experimental characterization of one-photon and two-photon excitation channels in isolated CF3I molecules using ultrafast gas-phase electron diffraction. In the two-photon channel, we have mapped out the real-space trajectories of a coherent nuclear wave packet, which bifurcates onto two potential energy surfaces when passing through a conical intersection. In the one-photon channel, we have resolved excitation of both the umbrella and the breathing vibrational modes in the CF3 fragment in multiple nuclear dimensions. These findings benchmark and validate ab initio nonadiabatic dynamics calculations.

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言語: eng - English

日付: 受理: 2018-05-15オンライン出版: 2018-01-14出版: 2018-07-06

出版の状態: 出版

ページ: 4

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査読: 査読あり

識別子（DOI, ISBNなど）: DOI: 10.1126/science.aat0049

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Project name : We thank G. M. Stewart from SLAC National Accelerator Laboratory for the assistance with making movie S1. Funding: The experimental part of this research was performed at SLAC MeV-UED, which is supported in part by the U.S. Department of Energy (DOE) Office of Basic Energy Sciences (BES) SUF Division Accelerator and Detector R&D program, the LCLS Facility, and SLAC under contracts DE-AC02-05-CH11231 and DE-AC02-76SF00515. J.Y., T.F.H., J.P.C., R.C., T.J.A.W., X.Z., and T.J.M. acknowledge support by the AMOS program within the Chemical Sciences, Geosciences, and Biosciences Division, BES of the DOEunder contract DE-AC02-76SF00515. J.P.F.N. acknowledges support by the Wild Overseas Scholars Fund of Department of Chemistry, University of York. T.J.M. acknowledges support from Office of Naval Research grant N00014-12-1-0828 and the Global Climate and Energy Project. This work used the XStream computational resources supported by the National Science Foundation Major Research Instrumentation program (ACI-1429830). Z.L. acknowledges support by the Volkswagen Foundation. M.G. is funded via a Lichtenberg Professorship of the Volkswagen Foundation. K.J.W. and M.C. were supported by the DOE Office of Science, BES under award DE-SC0014170.

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出版物名: Science

種別: 学術雑誌

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出版社, 出版地: Washington, D.C. : American Association for the Advancement of Science

ページ: 4 巻号: 361 (6397) 通巻号: - 開始・終了ページ: 64 - 67 識別子（ISBN, ISSN, DOIなど）: ISSN: 0036-8075
CoNE: https://pure.mpg.de/cone/journals/resource/991042748276600_1

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