Molecular dynamics simulation of condensed-phase chiral molecular propellers.
Molecular dynamics simulations were performed for an axial-chiral liquid crystalline (LC) monolayer under trans-monolayer gas flow. The rotational dynamics of the monolayer chiral LC molecule along its long-molecular axis were analyzed at the molecular level. We found a precise correspondence between the flow-driven molecular rotation direction and molecular chirality as well as between the rotation direction and the trans-monolayer flow direction. The rotational direction exactly corresponded to what was expected in the proposed chiral molecular propeller model (Tabe, Y.; Yokoyama, H. Nat. Mater. 2003, 2, 806). Among the four trans-monolayer gas species we investigated, we found argon to be the most efficient at driving the chiral molecular propeller and helium the least efficient.
Nanotechnology Research Institute, Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba 305-8568, Japan.
M
M
Yoneya
Y
Y
Tabe
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H
Yokoyama