Yan Cun-Ji, Yan Hui-Juan, Xu Li-Ping, Song Wei-Guo, Wan Li-Jun, Wang Qi-Qiang, Wang Mei-Xiang
Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences (CAS), Beijing 100080, China.
Langmuir. 2007 Jul 17;23(15):8021-7. doi: 10.1021/la070039i. Epub 2007 Jun 15.
The adlayers formed by a series of aza- and/or oxo-bridged calix[2]arene[2]triazines on Au(111) surfaces were investigated by scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. 1,3-Alternate configurations of these molecules are preserved on gold surfaces as in their three-dimensional crystals. STM images show that the cavity sizes of these molecules are finely tuned by substituting the bridging nitrogen atom with oxygen atoms, which change the strengths and densities of the intermolecular hydrogen bonds. Hydrogen bond interaction influences the molecular orientation and conformation in the adlayers, and it plays a key role in the formation of these two-dimensional supramolecular architectures. Coadsorption of calix[2]arene[2]triazine with 1,3,5-tris(5-carboxyamyloxy)benzene (TCAB) intervenes with the intermolecular hydrogen bond formations among the calix[2]arene[2]triazine molecules and consequently causes a conformational transition of the calixarene molecules from rhombic to square. These results demonstrate the role of hydrogen bonds in molecular assembly formations.
通过扫描隧道显微镜（STM）和密度泛函理论（DFT）计算，研究了一系列氮杂和/或氧桥连杯[2]芳烃[2]三嗪在Au(111)表面形成的吸附层。这些分子的1,3-交替构型在金表面得以保留，如同在其三维晶体中一样。STM图像显示，通过用氧原子取代桥连氮原子，可以精细调节这些分子的空腔大小，这会改变分子间氢键的强度和密度。氢键相互作用影响吸附层中分子的取向和构象，并且在这些二维超分子结构的形成中起关键作用。杯[2]芳烃[2]三嗪与1,3,5-三（5-羧基戊氧基）苯（TCAB）的共吸附会干扰杯[2]芳烃[2]三嗪分子之间的分子间氢键形成，从而导致杯芳烃分子从菱形构象转变为方形构象。这些结果证明了氢键在分子组装形成中的作用。
