Photodissociation of ozone in the Hartley band: Fragment rotational quantum state distributions

Mei Yu Zhao, Ke Li Han, Guo Zhong He, John Z.H. Zhang

Research output: Contribution to journalArticlepeer-review

Abstract

In this paper, we have calculated the rotational state distributions following the photodissociation of ozone in the Hartley band with total angular momentum J′ = 1. The calculated results are obtained by using time-dependent wave packet calculations on the Sheppard-Walker potential energy surface (PES). It is found that the physically more correct treatment with J′ = 1 semi-quantitatively reproduces the rotational state distributions of the CARS. Compared with the previous theoretical works, which had taken J = 0 on both the ground and excited potential surface, J′ = 1 treatment makes the rotational distributions of the fragment closer to the experimental ones.

Original languageEnglish (US)
Pages (from-to)443-449
Number of pages7
JournalJournal of Theoretical and Computational Chemistry
Volume3
Issue number3
DOIs
StatePublished - Sep 2004

Keywords

  • Rotational state distributions
  • TDWP method
  • Total angular momentum

ASJC Scopus subject areas

  • Computer Science Applications
  • Physical and Theoretical Chemistry
  • Computational Theory and Mathematics

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