This thesis describes the activation of small molecules using frustrated Lewis pairs, in particular investigating their use to reduce CO₂ to methanol, thus producing a new route towards a renewable fuel.
Chapter One summarises the requirement for a renewable fuel source, the alternative methods currently available and previous research conducted into converting CO₂ to methanol using FLPs and other reducing agents.
Chapter Two descr ... [truncated at 450 characters in length]
|Abstract||The main focus of the present work is the recovery process for spent fuels based on catalytic hydrogenation of liquid organic hydrides (LOH). To gain the knowledge about the possible hurdles of hydrogen loading process, the hydrogenation of 9-ethylcarbazole as a model compound was elected to be studied in more detail. The structures of the intermediates and products of this reaction were characterized for the first time using combined GC-MS and N ... [truncated at 450 characters in length]|
|Creator||Katarzyna Anna Morawa Eblagon; Timmy Ramirez-Cuesta;|
|Abstract||Hydrogen storage in lightweight hydrides continues to attract significant interest as the lack of a safe and efficient storage of hydrogen remains the major technological barrier to the widespread use of hydrogen as a fuel. The metal borohydrides Ca(BH₄)₂ and LiBH₄ form the subject of this thesis; three aspects of considerable academic interest were investigated by density functional theory (DFT) and molecular dynamics (MD) modelling. (i) High-pr ... [truncated at 450 characters in length]|
|Creator||Philippe C. Aeberhard;|
|Abstract||This Thesis considers the use of solid-state metal ammines as ammonia storage materials and endeavours to understand these materials on a fundamental chemical level. The ammines of LiBH₄, MgCl₂, MgBr₂, MgI₂ and Mg(BH₄)₂, are investigated. The structures of lithium borohydride ammines, Li(NH₃)nBH₄ with n = 1, 2, 3 and 4 are solved using X-ray and neutron diffraction, vibrational spectroscopy, nuclear magnetic resonance, and first-princi ... [truncated at 450 characters in length]|
|Creator||David M. Royse;|
|Abstract||Dissolution of hydrogen into intermetallic compounds characteristically occurs at interstitial sites, causing little alteration to the base metal substructure but often bringing about substantial electronic and magnetic changes to the material. These hydrogen-induced alterations in the intermetallic hydrides are of interest both on a fundamental research level and in terms of technological applications; however, there exists no general theory as ... [truncated at 450 characters in length]|
|Creator||Laura Amanda Richard;|