Molecular dynamics of photodissociation: towards more complex systems

E Kukk,E Rachlew,M Alcamí,K Kooser,D T Ha,F Martín,S Diaz-Tendero,Y Wang,H Levola,D G Piekarski,E Itälä

doi:10.1088/1742-6596/635/11/112105

Abstract

SynopsisWe 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.

Highlights

Synopsis We present a combined experimental and theoretical study of the photodissociation of thiophene molecule 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
Our understanding of the molecular dynamics in radiation-induced reactions is still very limited, when it comes to medium- and large-sized systems

Summary

Introduction

Synopsis We present a combined experimental and theoretical study of the photodissociation of thiophene molecule 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.

Results

Conclusion