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Title: Reaction dynamics by time-resolved wave packet spectroscopies & molecular dynamics simulation
Authors: Heo, Wooseok
Kim, JunWoo
Lee, Changmin
Joo, Taiha
Keywords: Science::Chemistry
Issue Date: 2020
Source: Heo, W., Kim, J., Lee, C., & Joo, T. (2020). Reaction dynamics by time-resolved wave packet spectroscopies & molecular dynamics simulation. Proc. Of the 7th Asian Spectroscopy Conference (ASC 2020). doi:10.32655/ASC_8-10_Dec2020.36
Abstract: Recent advances in short pulse lasers and time domain spectroscopies enabled investigation of molecular dynamics in a few femtosecond and even attosecond regime. For a coherent photochemical reaction occurring in an electronic excited state, molecular reaction dynamics can be studied by recording the nuclear wave packet motions in the reactant and product potential energy surfaces (PES) following photoexcitation to a Franck-Condon state. [1-4] Wave packets in the product state may also be formed by an impulsive chemical reaction. Evolution of the wave packets may contain extensive information on the PES and reaction coordinates. Time-domain experiments such as pump-probe transient absorption (TA) and time-resolved fluorescence (TF) with high enough time resolution can record nuclear wave packet motions spanning a full vibrational spectrum up to 3000 cm−1. We have developed experimental methods to record the wave packets and a theoretical method based on a molecular dynamics simulation to analyze the wave packet motion of each vibrational mode following photoexcitation. In this presentation, we show the method and application examples.
DOI: 10.32655/ASC_8-10_Dec2020.36
Rights: © 2020 Nanyang Technological University.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:Asian Spectroscopy Conference

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