This thesis focuses on the structure, reactivity and spectroscopy of metal complexes, as investigated using both DFT and ab initio methods, with a particular emphasis on the elucidation of experimental data. The first results chapter. Chapter 3, describes the electronic structure and spectroscopy of [Zn(pyridine)₄]²⁺, as calculated using TDDFT, to aid the interpretation and assignment of the first recorded state-resolved gas-phase photofragmentation spectrum of a dicationic transition-metal complex.
| Identifer | oai:union.ndltd.org:bl.uk/oai:ethos.bl.uk:496790 |
| Date | January 2009 |
| Creators | Norris, Caroline |
| Publisher | University of Sussex |
| Source Sets | Ethos UK |
| Detected Language | English |
| Type | Electronic Thesis or Dissertation |
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