A molecular dynamics study of columnar liquid crystals formed by octahedral metal complexes

Abstract

he chiral disc-shaped molecules exhibit various types of columnar liquid crystals. However, the effect of the molecular shape and the position of the chiral part on the molecular assembly has not been fully understood. In the present study, we analyzed the details of the characteristic orientational structure in racemic mixture of octahedral metal complexes with the chiral core using molecular dynamics simulation and gained new insights from the microscopic perspective.