Signatures of Conical Intersections in Extreme Ultraviolet Photoelectron Spectra of Furan Measured with 15 fs Time Resolution.

J Phys Chem Lett

Department of Chemistry, Graduate School of Science, Kyoto University, Kitashirakawa-Oiwakecho, Sakyo-Ku, Kyoto 606-8502, Japan.

Published: February 2024

AI Article Synopsis

  • - The study investigates how furan, a chemical compound, rapidly converts internally when exposed to deep ultraviolet light at 200 nm, using advanced spectroscopy techniques with a time resolution of 15 femtoseconds.
  • - Researchers capture the movement of nuclear wavepackets transitioning from an excited electronic state (B(ππ*)) to the ground state, employing high-energy probe pulses of 21.7 eV.
  • - By comparing experimental data with electronic structure calculations, they successfully identify photoelectron signals originating from regions where different electronic states intersect, known as conical intersection regions.

Article Abstract

Ultrafast internal conversion of furan upon deep UV excitation at 200 nm is studied by using extreme ultraviolet time-resolved photoelectron spectroscopy with a time resolution of 15 fs. Ballistic nuclear wavepacket motion from the B(ππ*) state to the ground state is fully observed using 21.7 eV probe pulses. Through the performance of a comparison with the results of electronic structure calculations at the MS(3)-CASPT2(10,10)/cc-pVTZ level of theory, the photoelectron signals from the conical intersection regions are identified.

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Source
http://dx.doi.org/10.1021/acs.jpclett.3c03582DOI Listing

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