123rd General Meeting of the KCS

Type Symposium
Area Current Advances in Reaction Dynamics
Room No. Room 305+306
Time THU 16:10-16:35
Code PHYS1-2
Subject Molecular reaction dynamics by time-resolved wave packet spectroscopies and molecular dynamics simulation
Authors Wooseok Heo, Junwoo Kim1, Taiha Joo*
Department of Chemistry, Pohang University of Science and Technology, Korea
1Center for Molecular Spectroscopy and Dynamics, Institute for Basic Science, Korea
Abstract For a photochemical reaction occurring in an electronic excited state, one powerful way to study the molecular reaction dynamics is to record the nuclear wave packet motions following the photoexcitation to the Franck-Condon state. Evolution of the wave packets may contain extensive information on the potential energy surfaces (PES) and reaction coordinates. We have performed time-domain experiments such as pump-probe transient absorption (TA) and time-resolved fluorescence (TF) with high enough time resolution to record the nuclear wave packet motions of the reactant and product. We have also devised a way to distinguish between the vibrational modes that are orthogonal to the reaction coordinate and those that are coupled strongly to the reaction from the molecular dynamics simulation. Combining the experiment and theory, one can achieve a detailed picture of the molecular reaction dynamics. We demonstrate the strength of this approach by applying to the excited state intramolecular proton transfer (ESIPT) reactions 10-hydroxybenzo[h]quinoline (HBQ) and its derivatives.
E-mail thjoo@postech.ac.kr