National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba Central 5, 1-1-1 Higashi, Tsukuba, Ibaraki 305-8565, Japan.
Phys Chem Chem Phys. 2022 Dec 14;24(48):29757-29764. doi: 10.1039/d2cp05097h.
Elucidating the correlation between the molecular arrangement and physical properties of organic compounds is critical to facilitating the development of advanced functional materials. X-ray structural analyses are generally performed to clarify this relationship. Several attempts have been made to ascertain the links between three-dimensional (3D) crystals and their two-dimensional (2D) structures, which can be revealed by scanning tunnelling microscopy (STM) at the molecular level. Thus, 2D self-assemblies of a series of azobenzene derivatives were investigated in this study, and the effects of methyl substitution of the azobenzene core and alkyl chain length on the 2D molecular arrangements at the solid/liquid interface were revealed. Three types of azobenzene derivatives were prepared; these contained azobenzene (Az), 3-methyl azobenzene (MAz), or 3,3'-dimethyl azobenzene (DAz) as cores and alkyloxy chains of different lengths (C8-13) at their 4,4' positions. The 2D structures of the Az and DAz compounds were found to be modulated owing to the odd-even effect of the alkyl chains in a specific chain-length range; this effect was only weakly exhibited by the MAz compounds. This result suggests that only the methyl-group substitution of the azobenzene core significantly affected the 2D structures. The 2D structural features have been discussed in terms of molecular conformation, as well as their correlation with the photo-melting behaviour of the azobenzene derivatives, particularly the MAz compounds.
阐明有机化合物的分子排列和物理性质之间的相关性对于促进先进功能材料的发展至关重要。通常进行 X 射线结构分析以阐明这种关系。已经进行了一些尝试来确定三维(3D)晶体与其二维(2D)结构之间的联系,这些结构可以通过在分子水平上的扫描隧道显微镜(STM)来揭示。因此,本研究研究了一系列偶氮苯衍生物的 2D 自组装,揭示了偶氮苯核心的甲基取代和烷基链长对固/液界面上 2D 分子排列的影响。制备了三种类型的偶氮苯衍生物;这些衍生物的核心为偶氮苯(Az)、3-甲基偶氮苯(MAz)或 3,3'-二甲基偶氮苯(DAz),4,4'位带有不同长度(C8-13)的烷氧基链。Az 和 DAz 化合物的 2D 结构由于烷基链在特定链长范围内的奇偶效应而被调节;MAz 化合物仅表现出较弱的这种效应。结果表明,只有偶氮苯核心的甲基取代显著影响 2D 结构。从分子构象以及与偶氮苯衍生物的光致熔融行为的相关性方面讨论了 2D 结构特征,特别是 MAz 化合物。