Self‐Assembled Monolayers of N‐Heterocyclic Olefins on Au (111)

Self‐assembled monolayers (SAMs) of N‐heterocyclic olefins (NHOs) have been prepared on Au (111) and their thermal stability, adsorption geometry, molecular order were characterized by X‐ray photoelectron spectroscopy, polarized absorption scanning tunneling microscopy (STM), density functional theory (DFT) calculations. The strong σ‐bond character NHO anchoring to induced high geometrical flexibility that enabled a flat‐lying geometry via coordination Au‐adatom. was utilized further increase the surface interaction monolayer backbone functionalization with methyl groups stability large impact work function values, which outperformed carbenes. STM measurements, supported DFT modeling, identified NHOs self‐assembled in dimers, trimers, tetramers constructed two, three, four complexes NHO‐Au‐adatom. This self‐assembly pattern correlated NHO‐Au interactions steric hindrance between adsorbates, demonstrating crucial influence carbon‐metal properties.