Author

Xiaolin Wei

Publication Date

1990

Document Type

Dissertation/Thesis

First Advisor

Gray, Stephen K.

Degree Name

M.S. (Master of Science)

Department

Department of Chemistry

LCSH

Argon||Chlorides||Complex compounds||Quasimolecules

Abstract

The purpose of this work is to study the fragmentation process of ArCl₂ complex by applying the time evolution of wave packets method developed by Gray and Wozny to the ArCl₂ system. A suitable potential surface is developed for carrying out the calculations of the dynamics of the ArCl₂ complex, and several initial excited vibrational states, v = 7, 11, and 12, have been considered. The calculations are well converged and are in reasonable agreement with the experimental results. The resonance energies are in the range of 178.0 ± 0.4 cm⁻¹, while the experimental values are 178.0 ± 1.0 cm⁻¹. The lifetime for the v = 11 initial excitation is 113 ± 10 ps., while the lifetime determined from experiment is 85 ± 10 ps.. The major features of the product distributions of the experimental spectrum are also reproduced by the theoretical results. Suggestions are made to explain an abnormal trend in lifetimes observed in the theoretical model.

Comments

Includes bibliographical references (pages [28]-29)

Extent

29 pages

Language

eng

Publisher

Northern Illinois University

Rights Statement

In Copyright

Rights Statement 2

NIU theses are protected by copyright. They may be viewed from Huskie Commons for any purpose, but reproduction or distribution in any format is prohibited without the written permission of the authors.

Media Type

Text

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