Density functional theory BLYP and ab initio HF calculations have been carried out to investigate the structures and vibrational spectra of dicyanobenzenes. The calculated results are in good agreement with reliable experimental data and indicate that the benzene rings of all three isomers are only slightly distorted by the two cyano groups. Vibrational frequencies calculated by BLYP/6-31G* force fields agree very well with experimental results, with a mean deviation of about 14 cm-1 for non-CH stretching modes. On the basis of agreement between the calculated and observed results, assignments of the fundamental vibrational modes were examined and some reassignments were proposed. This study demonstrates that the density functional theory BLYP calculation is a powerful approach to understanding the vibrational spectra of organic compounds.

Interest into the effects of weak static magnetic fields on chemical reactions involving spin correlated radical pairs has increased over the last few decades, particularly as scientists have become more curious about the mechanisms by which animals can sense and respond to small variations in the Earth's weak (50 µT) magnetic field. The magnetosensitivity of radical pairs, as dictated by the radical pair mechanism, lies at the heart of the most heavily supported hypothesis of this magnetoreception phenomenon. This thesis is concerned with the spectroscopic investigations of isotropic and anisotropic magnetic field effects in fluorescent systems. First of all, an introduction to spin chemistry and magnetoreception is presented. In chapter 3, the effects of weak radiofrequency oscillating fields when applied in combination with weak static fields are explored in isotropic solutions. The validity of the high-field model, typically used to describe spin dynamics in magnetic resonance, is tested and the effects of orientation and field strength on magnetic field effects are discussed in detail. In Chapter 4, a range of exciplex systems are studied by fluorescence methods and their energetics are explored. The factors which determine the formation of an exciplex, i.e. the complex equilibrium between the exciplex and the spin-correlated radical pair,are considered and used to assess the existence and magnitude of MFEs. Radical pair systems investigated, using MARY spectroscopy, with respect to their potential to act as model chemical compasses are introduced in chapter 5. Solid-state media are used to align the exciplex systems to detect any magnetic field direction dependence. Finally, in chapter 6, AMELIA, an experiment which can directly measure the anisotropic magnetic field response of a system, is presented and applied successfully to systems to detect directly the anisotropic field response of a photoexcited anthracene crystal.

Idag är de vanligaste använda raketerna flytande-bränsle- och fast-bränsle- raketer. Flytande-bränsle-raketer har fördelen att det kan manövreras men de har en komplex design och problem med förvaring. Fast-bränsle-raketer har en enkel design och kan förvaras men de har en miljöpåverkan och bränslet kan vara svårhanterligt. En tredje typ av raketer, hybridraketer, kan kombinera enkelheten från fasta-bränsle-raketer med manövreringsbarheten från vätske-bränsle-raketer. Trots fördelarna med hybridraketer används de inte på grund av att bränslet har låg regressionshastighet och låg densitet. Organiska additiv har visat sig förbättra dessa egenskaper. 50 organiska additiv granskades med avseende på deras specifika impuls, densitet, kostnad och användarvänlighet. De mest lovande organiska additiven utvärderades sedan experimentellt. Termogravimetrisk analys (TGA), isotermviktförlust, kompatibilitet och differentiell svepkalorimetri (DSC) användes. Resultaten indikerar att hexamin, fluorene, anthracene och 1,4-dicyanobenzene har mest potential att förbättra bränslet i hybridraketer. / Liquid propellant and solid propellant rockets are the most commonly used rockets Liquid propellant rockets have the advantage of being manoeuvrable with a high specific performance while they exhibit problems with storage and a complex design. Solid propellant rockets offer simplicity and are storable while they have a large environmental impact and could be difficult to handle. A third type of rocket, hybrid propellant rocket has the potential to combine the simplicity of solid propellant rocket with the manoeuvrability of liquid propellant rockets. While the hybrid propellant rocket offers advantages over liquid propellant and solid propellant rocket it have problems with its fuel which have a low regression rate and low density. Organic fillers were evaluated since they may increase in the regression rate and the density of the solid fuel. 50 organic fillers were assessed with regards to their specific impulse, density, cost and handling properties. The organic fillers with the most promising properties were then experimentally evaluated. Thermogravimetric analysis (TGA), isothermal weight loss test, compatibility test and differential scanning calorimetry analysis were conducted. The results indicate that hexamine, fluorene, anthracene and 1,4-dicyanobenzene are the most suitable organic fillers of those evaluated..