EaStCHEM and School of Chemistry, University of St. Andrews, St. Andrews, KY16 9ST, UK.
Elettra - Sincrotrone Trieste, S.C.p.A., S.S. 14 Km 163.5, 34149 Basovizza, Trieste, Italy.
Nanoscale. 2016 Apr 28;8(17):9167-77. doi: 10.1039/c6nr00821f.
The ultra-high vacuum (UHV) room temperature adsorption of benzotriazole (BTAH), a well-known corrosion inhibitor for copper, has been investigated on the pristine Au(111) surface using a combination of surface sensitive techniques. The dimensionality of the molecule is reduced from the 3D crystal structure to a 2-dimensional surface confinement, which induces the formation of hydrogen bonded 1-dimensional molecular chains consisting of alternating pro-S and pro-R enantiomers mainly. The 0-dimensional system is characteristic of gas-phase BTAH, which undergoes a tautomeric equilibrium, with consequences for the resulting adsorbed species. The balance between hydrogen bonding, inter-chain van der Waals interactions and surface-molecule interactions, and the correlation with the dimensionality of the system, are discussed in light of the experimental results and a computational description of the observed features.
使用表面敏感技术，我们对苯并三唑（BTAH）在原始 Au(111)表面的超高真空（UHV）室温吸附进行了研究。分子的维度从 3D 晶体结构降低到 2D 表面限制，这诱导了由交替的顺式和反式对映异构体组成的氢键 1D 分子链的形成，主要是这样。0 维系统的特点是气相 BTAH，它经历了互变异构平衡，这对吸附物种的结果产生了影响。根据实验结果和对观察到的特征的计算描述，讨论了氢键、链间范德华相互作用和表面分子相互作用之间的平衡，以及与系统维度的相关性。
