International audienceIn this paper, we investigate the self-organization of NTCDI molecules on Au(111) surface by combining Density Functional Theory (DFT) and experiments based on scanning tunneling microscopy (STM) and infrared spectroscopy measurements. The competition between the cohesive and adsorption energy on the flat surface is discussed. It was shown that the network is mainly stabilized by cohesive interactions explaining the mobility of the network over the surface. The comparison between experimental and infrared spectra enables confirmation of the effect and importance of the H-bonds in the network stability. STM images at different voltages and in ambient conditions were interpreted by projected density of states calculations and compared with experiment. The theoretically proposed network geometry was characterized at the molecular level reproducing the experimental STM image
The synthesis of five light absorbing triazolobithiophenic thiols, which were utilized for producing self-assembled monolayers (SAMs) on gold surfaces, is presented. The monolayer formation was monitored by cyclic voltammetry, indicating excellent surface coverage. The new triazolobithiophenic compounds exhibited an absorption maximum around 340 nm, which is close to the emission wavelength of a standard nitrogen laser. Consequently these compounds could be used to aid ionization in laser desorption mass spectrometry (MS).
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