Resonances in the UV photodissociation of the Ar...HCl van der Waals complex? An exact quantum 3D wave packet study

Thomas Schröder, Reinhard Schinke, Zlatko Bačić

Research output: Contribution to journalArticlepeer-review

Abstract

We investigate the 'one-atom cage effect' in the ultraviolet photodissociation of HCl in the Ar...HCl van der Waals complex, in particular the possibility of resonance structures caused by trapping of the hydrogen atom between its heavy partners Ar and Cl. The dynamics are treated by solving exactly the time-dependent Schrödinger equation using the usual Jacobi coordinates for a triatomic molecule. The kinetic energy distribution of the H atom and the absorption spectrum are both completely structureless, demonstrating that trapping of hydrogen is negligibly small and ruling out the cage effect in Ar...HCl.

Original languageEnglish (US)
Pages (from-to)316-320
Number of pages5
JournalChemical Physics Letters
Volume235
Issue number3-4
DOIs
StatePublished - Mar 24 1995

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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