| Abstract: | Temperature dependence of ratio between dielectric anisotropy and
order parameter of fluorinated nematic liquid crystal is
investigated by using a semi-empirical molecular orbital package
that can accurately calculate an angle between molecular dipole
moment and long axis. We optimize the molecular conformations with
three semi-empirical Hamiltonians AM1, PM3 and PM5, and then make a
comparison between computational results and experimental
measurements. It is shown that the results obtained from AM1 method
are in good agreement with the measurements. The present study
offers an applicable method to predict the dielectric properties of
liquid crystal material. |
