The structure, reactivity and spectroscopy of selected transition metal complexes
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...
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University of Sussex
2009
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.496790 |
| Summary: | 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. |
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