Rostock 2019 – scientific programme

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MO: Fachverband Molekülphysik

MO 11: Photochemistry

MO 11.6: Talk

Wednesday, March 13, 2019, 12:00–12:15, S HS 001 Biologie

Ultrafast dissociation of vinyl bromide after passage through a conical intersection: an experimental and theoretical study — Florian Rott¹, Maurizio Reduzzi^2,3, •Thomas Schnappinger¹, Stephen R. Leone^2,4,5, and Regina de Vivie-Riedle¹ — ¹Department of Chemistry, LMU Munich, Germany — ²Department of Chemistry, University of California, Berkeley, USA — ³ICFO - The Institute of Photonics Sciences, The Barcelona Institute of Science and Technology, Spain — ⁴Chemical Sciences Division, Lawrence Berkeley National Laboratory, USA — ⁵Department of Physics, University of California, Berkeley, USA

The ultrafast dissociation of vinyl bromide after strong-field excitation is characterized experimentally and theoretically. After a multiphoton excitation of the π π^* transition, the relaxation process is illuminated via Attosecond Transient Absorption Spectroscopy (ATAS) using the bromine M-edge. This method allows to monitor the evolution of the nuclear wave packet during the dissociation of bromine within 100 fs.

Using non-adiabatic molecular dynamics in combination with high-level multi-reference methods we are able to simulate the corresponding time-dependent transient absorption spectrum of vinyl bromide. The simulated spectrum shows a good agreement with the experimental ATAS trace in the relevant energy range.

This joint experimental and theoretical work provides insight into the nuclear dynamics of dissociating vinyl bromide.