Rohde Dirk, Yan Cun-Ji, Wan Li-Jun
Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences (CAS), Beijing 100080, China.
Langmuir. 2006 May 9;22(10):4750-7. doi: 10.1021/la053138+.
The effect of the molecular structure on the self-assembly of specially designed two-core 1,3,2-dioxaborines has been studied with various techniques. It was found that the molecules spontaneously adsorbed on HOPG surfaces and self-organized into well-ordered two-dimensional (2D) monolayers. The structural details of the 2D assemblies were investigated by scanning tunneling microscopy (STM). From X-ray analysis of the corresponding three-dimensional (3D) crystal and from theoretical calculation, we were able to reveal the driving force behind the specific self-assembly. The C-H...F hydrogen bonding between the ortho carbon of the phenyl ring and the fluorine of the BF2 group plays an important role in the formation of the adlayers. The different electron affinities and geometries of the molecules affect the intermolecular interactions which further lead to different properties in the bulk materials.
采用多种技术研究了分子结构对特殊设计的双核1,3,2 - 二氧硼杂环戊烷自组装的影响。发现这些分子能自发吸附在高定向热解石墨（HOPG）表面，并自组织形成有序的二维（2D）单层。通过扫描隧道显微镜（STM）研究了二维组装体的结构细节。通过对相应三维（3D）晶体的X射线分析和理论计算，我们能够揭示特定自组装背后的驱动力。苯环邻位碳与BF₂基团的氟之间的C - H...F氢键在吸附层的形成中起重要作用。分子不同的电子亲和势和几何结构影响分子间相互作用，进而导致块状材料具有不同的性质。
