Liquid crystal phases formed by bent shaped (or “banana”) molecules are currently of great interest. Here we investigate the phases formed by banana molecules modelled combining three Gay–Berne sites and containing either one central or two lateral and transversal dipoles. We show that changing the dipole position has a profound effect on the mesophase stability and molecular organisation. In particular we find a nematic phase only for off centre dipoles and tilted phases only for terminal dipoles.
SILVIA ORLANDI, ROBERTO BERARDI, JOACHIM STELZER, CLAUDIO ZANNONI (2006). A Monte Carlo study of the mesophases formed by polar bent-shaped molecules. THE JOURNAL OF CHEMICAL PHYSICS, 124, 124907.1-124907.9 [10.1063/1.2176622].
A Monte Carlo study of the mesophases formed by polar bent-shaped molecules
ORLANDI, SILVIA;BERARDI, ROBERTO;ZANNONI, CLAUDIO
2006
Abstract
Liquid crystal phases formed by bent shaped (or “banana”) molecules are currently of great interest. Here we investigate the phases formed by banana molecules modelled combining three Gay–Berne sites and containing either one central or two lateral and transversal dipoles. We show that changing the dipole position has a profound effect on the mesophase stability and molecular organisation. In particular we find a nematic phase only for off centre dipoles and tilted phases only for terminal dipoles.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
