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Title:X-ray Transient Absorption Reveals The 1au (nπ*) State Of Pyrazine In Electronic Relaxation
Author(s):Scutelnic, Valeriu
Contributor(s):Leone, Stephen R.; Coriani, Sonia; Møller, Klaus; Krylov, Anna; Kobayashi, Yuki; Haugen, Eric; Xue, Tian; Epshtein, Michael; Yang, Zheyue; Pápai, Mátyás; Tsuru, Shota
Subject(s):Dynamics and kinetics
Abstract:X-rays promote electrons from the core levels to vacant valence orbitals, thus endowing them with a unique element specificity. Moreover, the core level transitions can easily sense the shifts in the electron density in the proximity of the probed element. We produce soft X-rays around 280 eV driving high harmonics in a helium gas target with 1470 nm pulses. This table-top broad band X-ray source allows us to investigate the ultrafast dynamics in photoexcited pyrazine (C$_{4}$H$_{4}$N$_{2}$) with a new view of the electronic states involved. In addition to the previously characterized $^{1}$B$_{2u}$ ($\pi$$\pi$*) (S$_{2}$) and $^{1}$B$_{3u}$ (n$\pi$*) (S$_{1}$) states, the participation of the optically dark $^{1}$A$_{u}$ (n$\pi$*) state is assigned by a combination of experimental X-ray core-to-valence spectroscopy, electronic structure calculations and nonadiabatic dynamics simulations. The $^{1}$A$_{u}$ (n$\pi$*) state is populated about 200 femtoseconds after electronic excitation and plays a key role in the relaxation of pyrazine to the ground state.
Issue Date:2021-06-24
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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