Photodissociation dynamics: multidimensional view
소속 :
연사 : Prof. Sang Kyu Kim (KAIST, Department of Chemistrty)
일시 : 2012-05-03 17:00 ~
장소 : 500동 목암홀
일 시 : 2012년 5월 3일 오후 5시
장 소 : 500동 목암홀
-Abstract-
Here, we present several cases of photodissociation dynamics, where the conical intersection plays an important role along the overall reaction pathway. For reactions on electronically excited states, where transitions occur between adiabatic surfaces, nonadiabatic transitions are essential. The conical intersection where two different adiabatic surfaces touch has been widely accepted as the dynamic funnel for efficient nonadiabatic transitions, and yet the direct experimental probing of the conical intersection has been rare. Here, we investigate the photodissociation of thioansiole and thiophenol, and observe the interesting dependence of the reaction products on photoexcitation energy in terms of the product branching ratio and energy partitioning. This results from the unique dynamic process occurring near the conical intersection. The location of the observed resonance on multi-dimensional potential energy surface thus reveals nuclear configuration of the conical intersection and its dynamic role in the nonadiabatic transition. Multidimensional nature of the conical intersection seam will be discussed with the aid of preliminary ab initio calculations on excited states.
장 소 : 500동 목암홀
-Abstract-
Here, we present several cases of photodissociation dynamics, where the conical intersection plays an important role along the overall reaction pathway. For reactions on electronically excited states, where transitions occur between adiabatic surfaces, nonadiabatic transitions are essential. The conical intersection where two different adiabatic surfaces touch has been widely accepted as the dynamic funnel for efficient nonadiabatic transitions, and yet the direct experimental probing of the conical intersection has been rare. Here, we investigate the photodissociation of thioansiole and thiophenol, and observe the interesting dependence of the reaction products on photoexcitation energy in terms of the product branching ratio and energy partitioning. This results from the unique dynamic process occurring near the conical intersection. The location of the observed resonance on multi-dimensional potential energy surface thus reveals nuclear configuration of the conical intersection and its dynamic role in the nonadiabatic transition. Multidimensional nature of the conical intersection seam will be discussed with the aid of preliminary ab initio calculations on excited states.
