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Organic Salts Of Guanazole - Seeking For New Materials For Second Harmonic Generation

Publication at Faculty of Science, Faculty of Mathematics and Physics |


Four novel organic salts of 3,5-diamino-1,2,4-triazole (guanazole) with malonic, glutaric, adipic and L-malic acids have been prepared and X-ray structural analyses have been performed within our project focused on the preparation of new non-linear optical materials. The salts guanazolium(1+) hydrogen adipate and guanazolium(1+) hydrogen L-malate crystallize in the non-centrosymmetric space groups of monoclinic (Cc) and orthorhombic systems (P212121), respectively.

Unfortunately, the remaining two salts guanazolium(1+) hydrogen malonate and guanazolium(1+) hydrogen glutarate belong to the centrosymmetric space group P-1 of the triclinic system. All salts were also characterized by the methods of vibrational spectroscopy (FTIR and FT Raman).

The interpretation of the vibrational spectra is based on our previous ab initio calculations. The second harmonic generation's quantitative measurements of powdered samples at 800 nm and 1064 nm were performed.

The thermal behavior of the prepared compounds was studied by the DSC method in the temperature interval from 90 K up to a temperature close to the melting points of the crystals.