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Direct imaging of single molecules at nanostructured interfaces is a grandchallenge, with potential to enable new, precise material architectures andtechnologies. Of particular interest are the structural morphology andspectroscopic signatures of the adsorbed molecule, where modern probes are onlynow being developed with the necessary spatial and energetic resolution toprovide detailed information at molecule-surface interface. Here, we directlyvisualize the binding of individual m-terphenyl isocyanide ligands to areconstructed Au(111) surface through scanning tunneling microscopy (STM) andinelastic electron tunneling spectroscopy (IETS). The site-dependent stericpressure of the various surface features alters the vibrational fingerprints ofthe m-terphenyl isocyanides, which is characterized with single-moleculeprecision through joint experimental and theoretical approaches. This study forthe first time provides molecular-level insights into thesteric-pressure-enabled surface binding selectivity, as well as its effect onthe chemical properties of individual surface-binding ligands.

Molecular-Scale Visualization of Steric Effects of Ligand Binding to Reconstructed Au(111) Surfaces