Abstract
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.
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Original Russian Text © T.G. Volkova, E.G. Nebukina, N.N. Usanova, M.V. Klyuev, 2008, published in Zhurnal Obshchei Khimii, 2008, Vol. 78, No. 7, pp. 1173–1176.
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Volkova, T.G., Nebukina, E.G., Usanova, N.N. et al. Conformational analysis of the structure of p-butoxybenzylidene-p′-propionyloxyaniline at temperatures of crystal → nematic and nematic → isotropic liquid phase transitions. Russ J Gen Chem 78, 1407–1410 (2008). https://doi.org/10.1134/S1070363208070219
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DOI: https://doi.org/10.1134/S1070363208070219