Physico Chemical Properties of Some Mesogenic Molecules Using Quantum Mechanical techniques

Abstract

The discovery of the liquid crystalline state is developed by the botanist Reinitzer from the institute for plant Biology of the German University of Prague in 1888. The term liquid crystal signifies a state of aggregation that is intermediate between the crystalline solid and the amorphous liquid. It is also known as mesophase. They possess many of the mechanical properties of a liquid, such as high fluidity, inability to support shear, formation etc. At the same time they are similar to crystals but they exhibit anisotropy in their optical, electrical and magnetic properties. Liquid crystalline properties emanate from their molecular structures. So it is necessary to study how single molecular property affects the bulk material. Present study employs computational Density Functional Theory to study optical properties of liquid crystal molecules. newline