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

doi:10.1016/0009-2614(95)00131-M

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

Chemistry

Research output: Contribution to journal › Article › peer-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 language	English (US)
Pages (from-to)	316-320
Number of pages	5
Journal	Chemical Physics Letters
Volume	235
Issue number	3-4
DOIs	https://doi.org/10.1016/0009-2614(95)00131-M
State	Published - Mar 24 1995

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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

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 Schr{\"o}dinger 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.",

author = "Thomas Schr{\"o}der and Reinhard Schinke and Zlatko Ba{\v c}i{\'c}",

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T1 - Resonances in the UV photodissociation of the Ar...HCl van der Waals complex? An exact quantum 3D wave packet study

AU - Schröder, Thomas

AU - Schinke, Reinhard

AU - Bačić, Zlatko

PY - 1995/3/24

Y1 - 1995/3/24

N2 - 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.

AB - 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.

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