Molecular dynamics of photodissociation: towards more complex systems

29th International Conference on Photonic, Electronic, and Atomic Collisions

Kukk, E.^1 ; Ha, D.T.^2 ; Wang, Y.^2,3 ; Piekarski, D.G.^2 ; Diaz-Tendero, S.^2 ; Kooser, K.^1 ; Itälä, E.^1 ; Levola, H.^1 ; Alcamí, M.^2 ; Rachlew, E.^4 ; Martín, F.^2,3,5

Department of Physics and Astronomy, University of Turku, Turku

FI-20014, Finland^1

Departamento de Quimica, Universidad Autonoma de Madrid, Modulo 13, Cantoblanco Madrid

28049, Spain^2

Instituto Madrileno de Estudios Avanzados en Nanociencia, Cantoblanco, Madrid

28049, Spain^3

KTH, Physics, Stockholm, Sweden^4

Condensed Matter Physics Center (IFIMAC), Universidad Autonoma de Madrid, Madrid

28049, Spain^5

关键词: Density functional tight bindings;    Electron-ion-ion coincidence;    Fragmentation pathways;    Internal energies;    Self consistent charges;    Statistical approach;    Theoretical simulation;    Theoretical study;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/11/112105/pdf
DOI  :  10.1088/1742-6596/635/11/112105

来源: IOP

【 摘 要 】

We present a combined experimental and theoretical study of the photodissociation of thiophene mole-cule using energy-resolved electron-ion-ion coincidence technique and self-consistent charge density functional tight-binding theory combined with a statistical approach. The observed complex molecular dynamics with many internal-energy-dependent fragmentation pathways is successfully described by the theoretical simulations.