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We study pentanedithiol molecular junctions formed by means of thebreak-junction technique with a scanning tunneling microscope at lowtemperatures. Using inelastic electron tunneling spectroscopy andfirst-principles calculations, the response of the junction to elasticdeformation is examined. We show that this procedure makes a detailedcharacterization of the molecular junction possible. In particular, our resultsindicate that tunneling takes place through just a single molecule.

Characterization of single-molecule pentanedithiol junctions by inelastic electron tunneling spectroscopy and first-principles calculations