A three dimensional reactive scattering study of the photodetachment spectrum of ClHCl-

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Abstract

In this paper, the photodetachment spectrum of ClHCl- is simulated theoretically by calculating the Franck-Condon overlap between the negative ion ground state vibration/rotation wave function, and a ClHCl scattering wave function that is determined accurately using a three dimensional hyperspherical reactive scattering method. The resulting spectrum shows a broad low energy peak that is due to direct scattering, and a narrow higher energy peak that is mainly due to a resonance associated with the transition state region of the Cl + HCl reaction. These two peaks are in good agreement in position and relative intensity with a spectrum recently measured by Neumark and co-workers.

Original languageEnglish
Pages (from-to)3582-3589
Number of pages8
JournalJournal of Chemical Physics
Volume90
Issue number7
Publication statusPublished - 1989

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photodetachment
Scattering
Wave functions
scattering
wave functions
negative ions
Ground state
Negative ions
vibration
ground state
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

A three dimensional reactive scattering study of the photodetachment spectrum of ClHCl-. / Schatz, George C.

In: Journal of Chemical Physics, Vol. 90, No. 7, 1989, p. 3582-3589.

Research output: Contribution to journalArticle

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