[16p-B6-1~23] 12.2 評価・基礎物性

15:30 〜 15:45奨励賞エントリー英語発表

[16p-B6-10] Two-dimensional chiral recognition of thiaheterohelicene derivatives using molecular dynamics simulation.

〇Changqing Ye¹, Takuma Hattori¹, Yuji Hamamoto¹, Pawel Krukowski², Akira Saito¹, Hideji Osuga³, Yoshitada Morikawa¹, Yuji Kuwahara¹ (1.Osaka Univ., 2.Univ. of Lodz, 3.Wakayama Univ.)

キーワード：

helicene、molecular dynamics simulation

In order to find the reason why racemic and (M)-type 2, 13-bis(hydroxymethyl)-[7]thiaheterohelicene ([7]TH-diol) both form similar zig-zagged chain structures on the Au(111) surface observed by scanning tunneling microscopy (STM), in this work, we investigated the origin of the adsorption and aggretation behaviors for [7]TH-diol on graphene by using molecular dynamics (MD) simulation. Our MD simulations well reproduced the STM results. Moreover, we estimated the growth process of the self-assembled strucutres was traced from several molecules, and evaluated interactions between the molecules.