Department of Physics , Nanchang University , Nanchang 330031 , China.
Langmuir. 2019 Jan 29;35(4):870-874. doi: 10.1021/acs.langmuir.8b03066. Epub 2019 Jan 15.
The self-assembly of two-dimensional chiral 1 H,5 H-benzo(1,2- d:4,5- d')bistriazole (Hbbta) on a Ag(110) surface was investigated by ultra-high-vacuum scanning tunneling microscopy. The gradual formation of ordered structures by Hbbta molecules with the same chirality recognizing each other was observed as the annealing temperature was increased from 300 to 333 K. When the sample was annealed at 355 K, the homochiral structures were converted to coexisting structures containing λ-Hbbta and δ-Hbbta in a ratio of 6:1. Density functional theory (DFT) calculations revealed that thermally driven and intermolecular interactions induced chiral self-recognition to form enantiomorphous Hbbta structures in which N-H···N hydrogen bonds and C-H···N hydrogen bonds are the main attractive forces.
通过超高真空扫描隧道显微镜研究了二维手性 1 H，5 H-苯并（1，2- d：4，5- d'）双三唑（Hbbta）在 Ag（110）表面上的自组装。随着退火温度从 300 升高到 333 K，观察到具有相同手性的 Hbbta 分子通过识别彼此逐渐形成有序结构。当样品在 355 K 退火时，同手性结构转变为共存结构，其中 λ-Hbbta 和 δ-Hbbta 的比例为 6：1。密度泛函理论（DFT）计算表明，热驱动和分子间相互作用诱导手性自识别，形成手性 Hbbta 结构，其中 N-H···N 氢键和 C-H···N 氢键是主要的吸引力。
