A mechanical molecular rotation model for liquid crystal (LC) systems is employed to evaluate phase transition temperature of fluorinated phenylbicyclohexane isomeric LC compounds. Results show that when a fluorine atom is substituted along the molecular long axis, an LC molecule acquires high rotational speed and its rotation becomes stable, thereby resulting in a better thermal stability of the nematic phase. A novel explanation is proposed for the behavior of the nematic-isotropic phase of the LC system when a heavy atom is substituted along the molecular long axis.

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http://dx.doi.org/10.1007/s00894-008-0341-9DOI Listing

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