金（111）表面上苄硫醇和对氰基苄硫醇的自组装单分子层：结构与光谱表征

Self-assembled monolayers of benzylmercaptan and p-cyanobenzylmercaptan on Au(111) surfaces: structural and spectroscopic characterization.

作者信息

Hallmann L, Bashir A, Strunskus T, Adelung R, Staemmler V, Wöll Ch, Tuczek F

机构信息

Institut für Anorganische Chemie der Christian-Albrechts-Universität zu Kiel, Otto Hahn Platz 6/7, D-24098 Kiel, Germany.

出版信息

Langmuir. 2008 Jun 3;24(11):5726-33. doi: 10.1021/la702836r. Epub 2008 May 7.

DOI:10.1021/la702836r

PMID:18459749

Abstract

The formation of self-assembled monolayers of benzylmercaptan (BM) and p-cyanobenzylmercaptan (pCBM) on Au(111) surfaces is investigated by a combination of X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure (NEXAFS), and scanning tunneling microscopy (STM). The NEXAFS results of pCBM are supported by ab initio calculations. It is found that BM as well as pCBM form well-ordered monolayers with the molecules oriented almost perpendicular to the surface. BM forms a ( radical 3 x radical 3)R30 degrees structure whereas pCBM forms a slightly different c(7 x 7) hexagonal structure. No phase separation is detected for the adsorption of a 1:1 mixture of the two molecules. The implications of the results for the covalent attachment of transition-metal complexes to thiol-functionalized surfaces are discussed.

摘要

通过结合X射线光电子能谱（XPS）、近边X射线吸收精细结构（NEXAFS）和扫描隧道显微镜（STM），研究了苄硫醇（BM）和对氰基苄硫醇（pCBM）在Au(111)表面自组装单分子层的形成。pCBM的NEXAFS结果得到了从头算计算的支持。研究发现，BM和pCBM都形成了排列有序的单分子层，分子几乎垂直于表面取向。BM形成了（√3×√3）R30°结构，而pCBM形成了略有不同的c(7×7)六角形结构。对于两种分子1:1混合物的吸附，未检测到相分离。讨论了这些结果对过渡金属配合物与硫醇功能化表面共价连接的影响。