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Modelling the Dissociation Dynamics and Threshold Photoelectron Spectra of Small Halogenated Molecules

  • Book
  • © 2014

Overview

Authors:
  1. Jonelle Harvey

    1. School of Chemistry, University of Birmingham, Birmingham, United Kingdom

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  • Nominated as an outstanding Ph.D. thesis by the University of Birmingham, UK
  • Demonstrates the potential of high-resolution spectroscopy
  • Provides comprehensive details on the RRKM modelling program developed by Sztáray, Bodi and Baer, which can be used as a guide by other researchers new to the field
  • Offers a solid introduction to the types of systems one may encounter in the world of threshold photoelectron photoion coincidence spectroscopy

Part of the book series: Springer Theses (Springer Theses)

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Table of contents (7 chapters)

  1. Front Matter

    Pages i-xiii
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  2. Introduction and Background Information

    • Jonelle Harvey
    Pages 1-29

  3. Experimental

    • Jonelle Harvey
    Pages 31-40

  4. Theory

    • Jonelle Harvey
    Pages 41-56

  5. Fast Dissociations of Halogenated Methanes: A Thermochemical Network

    • Jonelle Harvey
    Pages 57-80

  6. Photodissociation Dynamics of Four Fluorinated Ethenes: Fast, Slow, Statistical and Non-statistical Reactions

    • Jonelle Harvey
    Pages 81-109

  7. Threshold Photoelectron Spectra of Four Fluorinated Ethenes from the Ground Electronic State to Higher Electronic States

    • Jonelle Harvey
    Pages 111-142

  8. Conclusions and Further Work

    • Jonelle Harvey
    Pages 143-150

  9. Back Matter

    Pages 151-174
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Keywords

About this book

Jonelle Harvey's book outlines two related experimental techniques, threshold photoelectron spectroscopy and threshold photoelectron photoion coincidence techniques, which are utilised to investigate small halogenated molecules. All the experiments were conducted at the vacuum ultraviolet beamline of the Swiss Light Source, a synchrotron photon source, which has the advantage over popular laser photon-sources of extreme ease of tunability. Three studies are presented which combine experimental and computational ab initio approaches: studying the fast dissociations of halogenated methanes in order to construct a self-consistent thermochemical network; investigating the fragmentations of fluoroethenes from timebombs, which break apart very slowly but explosively, to fast dissociators; and uncovering how vital conical interactions underpin both the results of photoelectron spectra and dissociation patterns. The details included in this thesis are useful for researchers working in the same field and those readers wishing to obtain a solid introduction into the types of systems encountered in threshold photoelectron photoion coincidence spectroscopy.

Authors and Affiliations

  • School of Chemistry, University of Birmingham, Birmingham, United Kingdom

    Jonelle Harvey

About the author

Jonelle Harvey completed her PhD in 2013. This was a joint project between the University of Birmingham and the Paul Scherrer Institut, Switzerland. She is now a research fellow of the University of Birmingham and is engaged in another successful collaboration with the Paul Scherrer Institute.

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