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Title: Activation of small molecules by doubly charged metal dication complexes in the gas phase : experiment and theory
Author: Koka, Kodzo Joseph
ISNI:       0000 0004 6423 3823
Awarding Body: University of Nottingham
Current Institution: University of Nottingham
Date of Award: 2015
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In this thesis metal complexes were formed in the gas phase via the pick-up technique designed by our group. Mixed clusters of argon and ligand formed within a supersonic expansion were collided with vaporised metal atoms to form neutral complexes, then ionised by high-energy electron impact and injected into a cold ion trap where they were excited by tuneable UV radiation. Dicationic metal-ligand complexes of the form [M(ligand)7]2+ for metals manganese, calcium and lead with benzene and toluene ligands; and [M(ligand)4]2+ for metals manganese and calcium metals with pyridine and picoline ligands were formed. The generated metal complexes were used to activate i.e. attach small molecules such as methane, ethane, carbon dioxide, nitrogen and water; whereby a series of metal dication complexes with small molecules were successfully formed. Comparison of the binding energies of the small molecules with the metal dication complexes was achieved using density functional theory (DFT) and potential energy curve (PEC) model calculations.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available