Probing excited state dynamics of cis,cis-1,3-cyclooctadiene with time-resolved photoelectron spectroscopy
ORAL
Abstract
Photoinduced isomerization dynamics play an important role in conjugated molecular systems with double bonds. We extend previous studies from small rigid systems, such as trans-1,3-butadiene ( C4H6 ) and 1,3-cyclohexidiene ( C6H8 ), to a larger and more flexible molecule, cis,cis-1,3-cyclooctadine ( C8H12). We perform time-resolved photoelectron spectroscopy ( TRPES ) measurements on cis,cis-1,3-cyclooctadiene, and we interpret the measurement with trajectory surface hopping calculations. The measurements indicate that the molecule undergoes rapid internal conversion to the ground state, and the features in the measured photoelectron spectra are interpreted in terms of ionization to several states of the molecular cation.
*The authors gratefully acknowledge support from the US Department of Energy under Award No. DE-FG02-08ER15984 and Award No. DE-FG02-08ER15983. Most of the computational work was performed using the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant No. ACI-1548562.
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Publication: J. Chem. Phys. 153, 074301 (2020); https://doi.org/10.1063/5.0006920
J. Chem. Phys. 152, 174302 (2020); https://doi.org/10.1063/5.0005558
Presenters
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Yusong Liu
- State Univ of NY - Stony Brook