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Preparation and study of novel crystalline materials for nonlinear optics based on nitrogen-containing heterocycles
Kloda, Matouš ; Němec, Ivan (advisor) ; Schwendt, Peter (referee) ; Holubová, Jana (referee)
The presented Ph.D. thesis is aimed at the preparation and characterisation of novel crystalline materials with application potential in nonlinear optics (NLO). The main goal was preparation of crystalline salts and adducts (cocrystals) of selected nitrogen-containing heterocycles with a range of organic and inorganic acids. Based on previous study and quantum- chemical calculations, the following starting heterocycles were selected: 2-aminopyrimidine, 4-aminopyrimidine, 5-aminopyrimidine, 3-amino-1,2,4-triazine and 3-amino-5,6-dimethyl- 1,2,4-triazine. The prepared materials were characterised mainly by X-ray diffraction and vibrational spectroscopy and the interpretation of the vibrational spectra was based on quantum-chemical calculations. The systems based on aminopyrimidines were the first field of study in presented thesis. The thesis represents a finalisation of our previous study focused on inorganic salts and cocrystal in the case of 2-aminopyrimidine. The characterisation of a pair of cocrystals with boric acid was accomplished. The 12 new salts and adducts were prepared and characterised in the case of 4-aminopyrimidine and only one crystalline product - adduct with succinic acid - was obtained in the case of 5-aminopyrimidine. The systems based on 3-amino-1,2,4-triazine and its...
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Preparation and study of novel crystalline materials for nonlinear optics based on nitrogen-containing heterocycles
Kloda, Matouš ; Němec, Ivan (advisor) ; Schwendt, Peter (referee) ; Holubová, Jana (referee)
The presented Ph.D. thesis is aimed at the preparation and characterisation of novel crystalline materials with application potential in nonlinear optics (NLO). The main goal was preparation of crystalline salts and adducts (cocrystals) of selected nitrogen-containing heterocycles with a range of organic and inorganic acids. Based on previous study and quantum- chemical calculations, the following starting heterocycles were selected: 2-aminopyrimidine, 4-aminopyrimidine, 5-aminopyrimidine, 3-amino-1,2,4-triazine and 3-amino-5,6-dimethyl- 1,2,4-triazine. The prepared materials were characterised mainly by X-ray diffraction and vibrational spectroscopy and the interpretation of the vibrational spectra was based on quantum-chemical calculations. The systems based on aminopyrimidines were the first field of study in presented thesis. The thesis represents a finalisation of our previous study focused on inorganic salts and cocrystal in the case of 2-aminopyrimidine. The characterisation of a pair of cocrystals with boric acid was accomplished. The 12 new salts and adducts were prepared and characterised in the case of 4-aminopyrimidine and only one crystalline product - adduct with succinic acid - was obtained in the case of 5-aminopyrimidine. The systems based on 3-amino-1,2,4-triazine and its...
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Novel materials for nonlinear optics - salts and cocrystals of heteroaromatic bases
Kloda, Matouš ; Němec, Ivan (advisor) ; Gyepes, Róbert (referee)
The main issue of this master thesis is investigation of new compounds of aminopyrazine and 3-amino-1,2,4-triazine in consideration of their potential usage in the field of nonlinear optics. The focus of this thesis was finishing of characterisation of an adduct of aminopyrazine and boric acid prepared as a part of previous bachelor thesis, as well as preparation of salts and cocrystals combining 3-amino-1,2,4-triazine with selected acids. Prepared materials were characterised mainly by the means of vibrational spectroscopy and x-ray diffraction analysis. Prediction of nonlinear optical properties of selected molecules and interpretation of recorded vibrational spectra was based on quantum chemical calculations. Finally, measurements of second harmonic generation efficiency of selected powder samples were performed.
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Novel crystalline materials for nonlinear optics - preparation and study
Kloda, Matouš ; Němec, Ivan (advisor) ; Havlíček, David (referee)
The main issue of this bachelor thesis is investigation of new compounds of 2-aminopyrimidine and aminopyrazine in consideration of their potential usage in the field of nonlinear optics. The focus of this thesis was preparation of salts and cocrystals combining 2-aminopyrimidine or aminopyrazine with boric acid and other selected acids. Prepared materials were characterised mainly by the means of vibrational spectroscopy and x-ray diffraction analysis. Prediction of nonlinear optical properties of selected molecules and interpretation of recorded vibrational spectra was based on quantum chemical calculations. Finally, measurements of second harmonic generation efficiency of selected powder samples were performed.
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