2A07 Molecular dynamics simulations of cubic phase forming perfluoroalkane LC

Abstract

Structure formation of perfluoroalkyl terminated mesogenic imine, 4-tridecafluorohexyl-benzoic acid 4-[4-(4-tridecafluorohexyl-benzoyloxy)-phenylimino]-methyl-phynyl ester, were studied with molecular dynamics simulations. Two distinct structures with smectic C like layers and with bundles (blocks) of the collapsed-layers were spontaneously formulated depending on the simulation temparatures. The bundles in the latter structure were somewhat positionally ordered and orientationally isotropic in total even with the molecules composing each bundles were well oriented.