Bistable switching analysis of a nematic liquid crystal and it's analogous structure: Comparative study

• Transition temperature is expected to be 9O.4 > 9S.4. • No transitions are observed in the visible region. • 9S.4 molecule that confirms the greater ultraviolet stability. • Lowest differential wavelength of 9O.4 molecule suggests superior switching. A nematic liquid crystal from benzylidene aniline family (9O.4) and its analogous structure (9S.4) has been analyzed for bistable switching. The structural optimization has been carried out via hybrid B3LYP functional with 6-31+G (d) basis set. The UV absorption spectra of these structures have been carried out. The electronic transitions features have been estimated via the configuration interaction singles (CIS) approach with Hamiltonian ZINDO. Further, the INDO/S calculations have been coupled with CI have been carried out for relative analysis. Various features of the spectra along with energy components have been discussed. The concerns with respect to substitution of sulphur atom in place of oxygen atom in these molecules are addressed with a special view. The bistable switching is helpful for maintaining two stable states for displaying the images without consuming the power. The results from this analysis attained here offer an insight in understanding this exclusive aspect so that it will be helpful for molecular design of new structures for the display applications.