Transition state resonances in collinear O(3P) + HCl →OH + Cl

Hiroyasu Koizumi, George C Schatz

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12 Citations (Scopus)

Abstract

We study the collinear quantum reaction dynamics of O + HCl using a coupled channel hyperspherical method. An extensive spectrum of resonances has been observed, many of which occur near the effective vibrational thresholds for reaction between initial HCl(v) and final OH(′). The resonance energies are in excellent agreement with the predictions of the DIVAH (diagonally corrected vibrationally adiabatic hyperspherical) model. Estimates of 3‐dimensional resonance energies are also given based on the DIVAH model with an adiabatic treatment of bend motion. Implications of these results for the observation of resonances in state resolved experiments are discussed.

Original languageEnglish
Pages (from-to)137-145
Number of pages9
JournalInternational Journal of Quantum Chemistry
Volume36
Issue number23 S
DOIs
Publication statusPublished - 1989

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thresholds
energy
estimates
predictions
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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

Transition state resonances in collinear O(3P) + HCl →OH + Cl. / Koizumi, Hiroyasu; Schatz, George C.

In: International Journal of Quantum Chemistry, Vol. 36, No. 23 S, 1989, p. 137-145.

Research output: Contribution to journalArticle

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