Satta Mauro, Zema Nicola, Turchini Stefano, Franchi Stefano, Contini Giorgio, Ciavardini Alessandra, Grazioli Cesare, Coreno Marcello, de Simone Monica, Tomellini Massimo, Piccirillo Susanna
Istituto per lo studio dei Materiali Nanostrutturati-CNR (ISMN-CNR), Department of Chemistry, Sapienza University of Rome, P. le Aldo Moro 5, 00185 Rome, Italy.
Istituto di Struttura della Materia-CNR (ISM-CNR), Via Fosso del Cavaliere 100, 00133 Rome, Italy.
ACS Omega. 2023 Apr 26;8(18):16471-16478. doi: 10.1021/acsomega.3c01647. eCollection 2023 May 9.
Sulfur-based molecules producing self-assembled monolayers on gold surfaces have long since become relevant functional molecular materials with many applications in biosensing, electronics, and nanotechnology. Among the various sulfur-containing molecules, the possibility to anchor a chiral sulfoxide to a metal surface has been scarcely investigated, despite this class of molecules being of great importance as ligands and catalysts. In this work, ()-(+)-methyl -tolyl sulfoxide was deposited on Au(111) and investigated by means of photoelectron spectroscopy and density functional theory calculations. The interaction with Au(111) leads to a partial dissociation of the adsorbate due to S-CH bond cleavage. The observed kinetics support the hypotheses that ()-(+)-methyl -tolyl sulfoxide adsorbs on Au(111) in two different adsorption arrangements endowed with different adsorption and reaction activation energies. The kinetic parameters related to the adsorption/desorption and reaction of the molecule on the Au(111) surface have been estimated.
在金表面产生自组装单分子层的硫基分子早已成为相关的功能分子材料，在生物传感、电子学和纳米技术等诸多领域都有应用。在各种含硫分子中，尽管这类分子作为配体和催化剂非常重要，但将手性亚砜锚定到金属表面的可能性却鲜有研究。在这项工作中，（）-（+）-甲基 - 甲苯基亚砜沉积在Au(111) 上，并通过光电子能谱和密度泛函理论计算进行研究。由于S-CH键的断裂，与Au(111) 的相互作用导致吸附质发生部分解离。观察到的动力学支持了以下假设：（）-（+）-甲基 - 甲苯基亚砜以两种不同的吸附排列吸附在Au(111) 上，这两种排列具有不同的吸附和反应活化能。已经估算了与该分子在Au(111) 表面上的吸附/解吸和反应相关的动力学参数。
