Conformational Analysis of the Structure of p-Butoxybenzylidene-p'-propionyloxy aniline at Temperatures of Crystal → Nematic and Nematic→ Isotropic Liquid Phase Transitions

摘要

The molecular structure and conformational properties of the p-butoxybenzylidene-p'-propionyloxyphenylaniline molecule in the crystalline state and at temperatures of the crystal→ nematic and nematic → isotropic liquid phase transitions were examined by AM1 calculations. It was found that the nematic →isotropic liquid phase transition is accompanied by a change in the molecular conformation.