Mesomorphic and Dielectric Properties of Supramolecular 3,5-Diamino-1-dodecyl-1,2,4-triazole

The formation of a thermotropic smectic phase in 3,5-diamino-1-dodecyl-1,2,4-triazole was revealed by polarizing microscopy and DSC. Depending on heating and cooling conditions, transitions between different types of layered packings occur, which was evidenced by dielectric measurements. Quantum-chemical simulation established that the mesomorphism of 1,2,4-triazole derivatives is associated with the formation of supramolecules with a higher polarizability anisotropy. The calculation results confirmed the possibility of lateral hydrogen bonding which favors layered smectic packing.