Dipartimento di Ingegneria dei Materiali e dell'Ambiente, Università di Modena e Reggio Emilia, Via Vignolese 905, 41100 Modena, Italy.
Langmuir. 2011 Apr 19;27(8):4713-20. doi: 10.1021/la105063u. Epub 2011 Mar 15.
We report a study of the self-assembly of 1,4-benzenedimethanethiol monolayers on gold formed in n-hexane solution held at 60 °C for 30 min and in dark conditions. The valence band characteristics, the thickness of the layer, and the orientation of the molecules were analyzed at a synchrotron using high resolution photoelectron spectroscopy and near edge X-ray adsorption spectroscopy. These measurements unambiguously attest the formation of a single layer with molecules arranged in the upright position and presenting a free -SH group at the outer interface. Near edge X-ray absorption fine structure (NEXAFS) measurements suggest that the molecular axis is oriented at 24° with respect to the surface normal. In addition, valence band features could be successfully associated to specific molecular orbital contributions thanks to the comparison with theoretically calculated density of states projected on the different molecular units.
我们报告了在 60°C 的正己烷溶液中保持 30 分钟并在黑暗条件下自组装 1,4-苯二甲硫醇单层在金上的研究。使用高分辨率光电子能谱和近边 X 射线吸收光谱在同步加速器上分析了价带特性、层的厚度和分子的取向。这些测量明确证明了形成单层的结果，其中分子以垂直位置排列，并在外部界面处呈现游离 -SH 基团。近边 X 射线吸收精细结构 (NEXAFS) 测量表明，分子轴相对于表面法线的取向为 24°。此外，由于与理论计算的不同分子单元上的态密度投影的比较，可以成功地将价带特征与特定的分子轨道贡献相关联。
