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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2008, 2, 63—71.
Conformational Analysis of the p-n-Propyloxy-o-Hydroxybenzylidene-p'-Butylaniline Structure at the Temperatures of Phase Transitions
N. N. Usanova, T. G. Volkova, M. V. Klyuev
Author affiliations Ivanovo State University
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Abstract The barriers of internal rotation are defined by semi-empirical method AM1 (Hy-perChem) and the conformational analysis of the p-n-propyloxy-o-hydroxybenzylidene-p'-butylaniline molecule in crystal condition, nematic phase, isotropic liquid and at the temperatures of phase transitions: crystal → nematic, nematic → isotropic liquid. It is concluded that phase transitions are accompanied by the changes of conformations and the alteration of molecule length.