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Dynamics in Excited State by Time ResolvedSpectroscopies and Molecular Dynamics Simulations

Taiha Joo
Department of Chemistry, POSTECH, Pohang 37673, Korea
Recent advances in short pulse lasers and time domain spectroscopies enable investigation of molecular reaction dynamics ina few femtosecond and even attosecond regime. Vibrational wave packetsin electronic ground and excited states can be generated through impulsive excitation of vibrations and monitoredby time-resolved spectroscopies such as pump/probe transient absorption (TA) and time-resolved fluorescence (TF),provided the time-resolution is higher than the periods of vibrations of interest.The vibrational modes coherently excited by the pump pulse and their decay provide a wealth of information on the molecular reaction dynamics and structures of the molecules in a given electronic state. In particular, by combining the experiment and theory including quantum mechanical model calculations and molecular dynamics simulations, detailed picture of the molecular reaction dynamics in the excited state can be attained.A few such studies including impulsive photoexcitation (Franck-Condon transition), ultrafast proton transfer, charge transfer, and internal conversion will be discussed.
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