Preparation and characterization of novel molecular materials for nonlinear optics

The main issue of this bachelor thesis is the investigation of salts and cocrystals of biuret and 2-aminopyrimidine in consideration of their usage in the field of nonlinear optics. The first attempt of this thesis was preparation of compounds combining biuret with organic or inorganic acids, urea and biguanide. The second part is focused on the searching of new salts of 2-aminopyrimidine and on further characterisation of its formerly prepared compounds. The methods employed to investigate the prepared materials include vibrational spectroscopy and X-ray diffraction analysis. The theoretical quantum mechanical calculations were used to predict the nonlinear optical properties of selected molecules and also for the interpretation of the recorded vibrational spectra. Measurements of second harmonic generation efficiency of selected powder samples were performed