Abstract
The relationship between the molecular structure and thermal properties in the homologous series nCB with n = 5–10 is investigated by the Monte Carlo and atom — atomic potential methods by dividing the thermodynamic properties of liquid crystal systems into inter- and intramolecular increments. An explicit even-odd correlation between the intermolecular term of the inner configuration energy Uinter, heat capacity C interv , and the anisotropy of the geometrical form (Σ/Σ) of nCB molecules is established. It is shown that internal degrees of freedom are responsible to a certain extent for the even-odd effect of some physicochemical properties of nCB. The major contribution to the heat capacity Cy is made by the vibrational motion.
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Yailoyan, S.M., Sarkisyan, A.T., Bezhanova, L.S. et al. Relationship between the structure and thermal properties of 4-n-alkyl-4’-cyanobiphenyls. J Struct Chem 40, 412–418 (1999). https://doi.org/10.1007/BF02700637
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DOI: https://doi.org/10.1007/BF02700637