Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction

Author:

Yang Jie12ORCID,Zhu Xiaolei123ORCID,F. Nunes J. Pedro4ORCID,Yu Jimmy K.235ORCID,Parrish Robert M.123,Wolf Thomas J. A.12ORCID,Centurion Martin4ORCID,Gühr Markus6,Li Renkai1,Liu Yusong7ORCID,Moore Bryan4ORCID,Niebuhr Mario6ORCID,Park Suji1ORCID,Shen Xiaozhe1ORCID,Weathersby Stephen1ORCID,Weinacht Thomas7,Martinez Todd J.123ORCID,Wang Xijie1ORCID

Affiliation:

1. SLAC National Accelerator Laboratory, Menlo Park, CA, USA.

2. Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, CA, USA.

3. Department of Chemistry, Stanford University, Stanford, CA, USA.

4. Department of Physics and Astronomy, University of Nebraska–Lincoln, Lincoln, NE, USA.

5. Biophysics Program, Stanford University, Stanford, CA, USA.

6. Institut für Physik und Astronomie, Universität Potsdam, Potsdam, Germany.

7. Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY, USA.

Abstract

Electronic and nuclear dynamics in one Because of the complex, ultrafast interplay between nuclear and electronic degrees of freedom, probing both nuclear and electronic dynamics in excited electronic states within a single time-resolved experiment is a great challenge. Yang et al. used ultrafast electron diffraction in combination with ab initio nonadiabatic molecular dynamics and diffraction simulations to study the relaxation dynamics of isolated pyridine molecules after photoexcitation to the S 1 state (see the Perspective by Domcke and Sobolewski). They showed that electronic state evolution and molecular structural changes can be recorded simultaneously and independently by tracing a transient signal in small-angle inelastic scattering and large-angle elastic diffraction, respectively. Science , this issue p. 885 ; see also p. 820

Funder

U.S. Department of Energy

Volkswagen Foundation

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

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