Explorations of Photoelectron Spectroscopy

Research output: ThesisDoctoral Thesis

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Abstract

Anion photoelectron spectroscopy has been employed in studying the gas-phase thermodynamics of the iodide-methylperoxy
complex, non-covalent interactions in the halide-propene and halide-butadiene complexes and finally to examine gas-phase
ion solvation by butadiene. To complement this experimental work, high level ab initio methods were used to describe complex
geometries and energetics of the iodide-methylperoxy complex. To extend computational methods to the larger systems
studied, double-hybrid density functional methods were benchmarked against a suite of studied halide-molecule complexes
before applying them to the both the halide-propene and halide-butadiene complexes. Finally, a short computational study was
completed on astrochemically relevant phosphorus hydride-molecule complexes.
Original languageEnglish
QualificationDoctor of Philosophy
Awarding Institution
  • The University of Western Australia
Supervisors/Advisors
  • Wild, Duncan, Supervisor
  • McKinley, Allan, Supervisor
  • Spagnoli, Dino, Supervisor
Thesis sponsors
Award date8 Sep 2022
DOIs
Publication statusUnpublished - 2021

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