Time-resolved photo-induced dynamics of cis,cis-1,3-cyclooctadiene (COD) studied by Ultrafast Electron Diffraction
ORAL
Abstract
We investigated real-time photo-induced structural dynamics of a large-flexible cyclic conjugated diene molecule cis,cis-1,3-cyclooctadiene (COD), with an aim to extend the current knowledge beyond small rigid systems, such as 1,3-cyclohexadiene (CHD). We excited COD in the gas-phase with a 200 nm laser and performed measurements with the ultrafast electron diffraction set-up in the SLAC MeV-UED facility. We followed the photo-induced structural dynamics and determined photo products by a fitting-based analysis with the aid of trajectory surface hopping calculations. We found hot ground-state of COD and the electrocyclic ring closure product bicyclo[4.2.0]oct-7-ene (BCO) to be the main products. Our results indicate that most of the population reaches the ground state within a time of 200 fs and that the BCO is formed soon after the wavepacket reaches the ground state. Through comparison of the measured and calculated observables, we identified a periodic breathing motion from the hot ground-state of COD. The combination of a structurally sensitive experiment and high-level theory highlights the photochemistry and unique structural dynamics in the larger cyclic conjugated molecular system.
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Presenters
Sri Bhavya Muvva
Department of Physics and Astronomy, University of Nebraska–Lincoln, Lincoln, NE, USA
Authors
Sri Bhavya Muvva
Department of Physics and Astronomy, University of Nebraska–Lincoln, Lincoln, NE, USA
Yusong Liu
LCLS, SLAC National Accelerator Laboratory, Menlo Park, CA, USA
Pratip Chakraborty
Department of Chemistry, KTH Royal Institute of Technology, Stockholm, Sweden
Pedro Nunes
Department of Physics and Astronomy, University of Nebraska–Lincoln, Lincoln, NE, USA
Spiridoula Matsika
Department of Chemistry, Temple University, Philadelphia, Pennsylvania, USA
Thomas Weinacht
Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York, USA, Stony Brook University
Martin Centurion
University of Nebraska - Lincoln, Department of Physics and Astronomy, University of Nebraska–Lincoln, Lincoln, NE, USA
