Institut für Experimentelle und Angewandte Physik, Christian-Albrechts-Universität zu Kiel, 24098 Kiel, Germany.
Physics and Materials Science Research Unit, University of Luxembourg, Luxembourg City L-1511, Luxembourg.
J Chem Phys. 2018 Dec 28;149(24):244705. doi: 10.1063/1.5059344.
Trioxatriangulenium (TOTA) platform molecules were functionalized with methyl, ethyl, ethynyl, propynyl, and hydrogen and sublimated onto Au(111) surfaces. Low-temperature scanning tunneling microscopy data reveal that >99% of ethyl-TOTA and methyl-TOTA remain intact, whereas 60% of H-TOTA and >99% of propynyl-TOTA and ethynyl-TOTA decompose. The observed tendency toward fragmentation on Au(111) is opposite to the sequence of gas-phase stabilities of the molecules. Although Au(111) is the noblest of all metal surfaces, the binding energies of the decomposition products to Au(111) destabilize the functionalized platforms by 2 to 3.9 eV (190-370 kJ/mol) and even render some of them unstable as revealed by density functional theory calculations. Van der Waals forces are important, as they drive the adsorption of the platform molecules.
三嗪并三氧杂环戊烯（TOTA）平台分子被甲基、乙基、乙炔基、丙炔基和氢官能化，并升华到 Au(111) 表面。低温扫描隧道显微镜数据显示，>99%的乙基-TOTA 和甲基-TOTA 保持完整，而 60%的 H-TOTA 和 >99%的丙炔基-TOTA 和乙炔基-TOTA 分解。在 Au(111)上观察到的碎片化趋势与分子的气相稳定性顺序相反。尽管 Au(111)是所有金属表面中最昂贵的，但分解产物与 Au(111)的结合能通过 2 到 3.9 eV（190-370 kJ/mol）使功能化平台失稳，甚至使其中一些根据密度泛函理论计算变得不稳定。范德华力很重要，因为它们驱动着平台分子的吸附。
