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Progress in Chemistry 2012, Vol. 24 Issue (06): 1120-1128 Previous Articles   Next Articles

• Special Issue of Quantum Chemistry •

Theoretical Studies for Photodissociation Dynamics of Small Molecules

Bin Jiang, Daiqian Xie   

  1. Institute of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China
  • Received: Revised: Online: Published:
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Photodissociation is one of the key issues in chemistry. Quantum state resolved photodissociation dynamics provides us the remarkable understanding for the photodissociation reaction mechanism at the atomic and molecular level. Our knowledge about the nature of the photodissociation process is largely enriched with the combination of experimental and theoretical studies and great advances have been achieved for the state-to-state photodissociation dynamics in the last 40 years. This article reviews the progress in theoretical studies for state-to-state photodissociation dynamics of small molecules and summarizes the photodissociation dynamics for H2O and CH3I. Finally, the open questions and challenges in this field are also addressed. Contents
1 Introduction
2 General theory of state-to-state photodissociation dynamics
3 Photodissociation dynamics for H2O: adiabatic versus nonadiabatic pathway
4 Photodissociation dynamics for CH3I: spin-orbit Coupling and multiple pathway dissociation
5 Conclusions and outlook
Key words: photodissociation, state-to-state dynamics, potential energy surface, cross section, H2O, CH3I

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