Femtosecond molecular dynamics viewed by multi-model imaging

Yusong Liu; Jie Yang; J. Pedro F. Nunes; Ruaridh Forbes; Thomas J. A. Wolf; Xiaozhe Shen; Chuan Cheng; Ming-Fu Lin; Kareem Hegazy; Paul Hockett; Albert Stolow; Martin Centurion; Tamás Rozgonyi; Philipp Marquetand; Xijie Wang; Thomas Weinacht

doi:10.1117/12.2595705

1 August 2021 Femtosecond molecular dynamics viewed by multi-model imaging

Yusong Liu, Jie Yang, J. Pedro F. Nunes, Ruaridh Forbes, Thomas J. A. Wolf, Xiaozhe Shen, Chuan Cheng, Ming-Fu Lin, Kareem Hegazy, Paul Hockett, Albert Stolow, Martin Centurion, Tamás Rozgonyi, Philipp Marquetand, Xijie Wang, Thomas Weinacht

Author Affiliations +

Proceedings Volume 11825, Ultrafast Nonlinear Imaging and Spectroscopy IX; 118250M (2021) https://doi.org/10.1117/12.2595705
Event: SPIE Optical Engineering + Applications, 2021, San Diego, California, United States

Abstract

Following the coupled motion of electrons and nuclei in molecules is difficult if one uses time-resolved approaches that only provide direct information on one or the other. We combine two complementary measurements, Time- Resolved Photoelectron/PhotoIon Spectroscopy (TRPES and TRPIS) and Ultrafast Electron Diffraction, to follow the electronic and nuclear dynamics of gas phase CH2I2 when exposed to UV light. In order to interpret the measurement, trajectory surface hopping calculations are carried out and all the measurement observables are simulated and directly compared with the measurement signals. Our measurements highlight the coupled electron-nucleus dynamics that allow for electronic potential energy to be converted into nuclear kinetic energy as well as complicated structural rearrangements of the molecule that involve symmetry breaking, dissociation, rotation, and non-local wave-packet dynamics.

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Citation Download Citation

Yusong Liu, Jie Yang, J. Pedro F. Nunes, Ruaridh Forbes, Thomas J. A. Wolf, Xiaozhe Shen, Chuan Cheng, Ming-Fu Lin, Kareem Hegazy, Paul Hockett, Albert Stolow, Martin Centurion, Tamás Rozgonyi, Philipp Marquetand, Xijie Wang, and Thomas Weinacht "Femtosecond molecular dynamics viewed by multi-model imaging", Proc. SPIE 11825, Ultrafast Nonlinear Imaging and Spectroscopy IX, 118250M (1 August 2021); https://doi.org/10.1117/12.2595705

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