Mesomorphic Properties and Computer Simulation of Guanazole Derivatives and Their Mixtures
D.O. Moskvina, V.V. Sotskya, E.A. Danilovab, T.V. Kudayarovab, A.I. Smirnovaa, N.V. Usol'tsevaa
aNanomaterials Research Institute, Ivanovo State University, Ermak str., 37/7, 153025 Ivanovo, Russia
bIvanovo State University of Chemistry and Technology, Sheremetevsky pr., 7, 153000 Ivanovo, Russia
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An investigation of the mesomorphic properties of 3,5-diamino-1-dodecyl-1,2,4-triazole and 3-amino-1,5-dodecyl-1,2,4-triazole binary mixture in the ratio of 1:0.75 (four molecules of the first compound and three of the second) was performed. By means of polarizing optical microscopy, it was discovered that the experimentally obtained binary mixture possesses enantiotropic mesomorphic properties (SmA phase). With the help of the molecular dynamics simulation of both individual triazole derivatives and their binary mixture, it was shown that the SmA-mesophase is caused by the presence of the di-dodecyl substituted triazole derivative.

DOI: 10.12693/APhysPolA.127.950
PACS numbers: 02.70Ns, 65.90+i