Yamamoto Tetsuya, Manaka Takaaki, Taguchi Dai, Iwamoto Mitsumasa
Department of Physical Electronics, Tokyo Institute of Technology, 2-12-1 S3-33 O-okayama, Meguro-ku, Tokyo 152-8552, Japan.
J Chem Phys. 2006 Jul 21;125(3):34704. doi: 10.1063/1.2216693.
Chirality of monolayers comprised of banana-shaped achiral molecules at an air-water interface was investigated theoretically, and a forming mechanism of chiral structure as an assembly of achiral molecules was argued. A model of such monolayers was constructed taking into account the short-range repulsive interaction between constituent banana-shaped achiral molecules, and the free energy density functional of the model was derived as a generalization of Williams-Bragg approach. It was predicted that chiral symmetry breaking occurs by monolayer compression, where two-dimensional characteristics of monolayers at an interface plays an important role in the formation of chiral structure by banana-shaped achiral molecules.
从理论上研究了由香蕉形非手性分子构成的单层膜在空气-水界面的手性，并探讨了作为非手性分子组装体的手性结构的形成机制。构建了此类单层膜的模型，该模型考虑了组成香蕉形非手性分子之间的短程排斥相互作用，并作为Williams-Bragg方法的推广导出了该模型的自由能密度泛函。据预测，单层膜压缩会导致手性对称性破缺，其中界面处单层膜的二维特性在香蕉形非手性分子形成手性结构过程中起着重要作用。
