Dependence of single molecule junction conductance on molecular conformation

Dependence of single molecule junction conductance on molecular conformation

| Latha Venkataraman, Jennifer E. Klare, Colin Nuckolls, Mark S. Hybertsen, Michael L. Steigerwald
The conductance of single metal-molecule-metal junctions is influenced by both the chemical nature of the molecule and its conformation. The study focuses on biphenyl molecules, where the conductance is expected to vary with the relative twist angle between the two phenyl rings, with the planar conformation exhibiting the highest conductance. Using amine linkages to form single-molecule junctions, the researchers observed a clear correlation between molecule conformation and junction conductance. The conductance decreased with increasing twist angle, consistent with a cosine squared relation predicted for π-conjugated systems. The results were validated through conductance histograms, which showed peaks corresponding to the most prevalent molecular junction conductances. Additionally, the study demonstrated that the conductance of oligophenyls followed an exponential decay with the number of phenyl rings, providing evidence for non-resonant tunneling transport. The findings suggest that the conductance of these junctions is primarily determined by the π-overlap between the aromatic rings, rather than other electronic effects.The conductance of single metal-molecule-metal junctions is influenced by both the chemical nature of the molecule and its conformation. The study focuses on biphenyl molecules, where the conductance is expected to vary with the relative twist angle between the two phenyl rings, with the planar conformation exhibiting the highest conductance. Using amine linkages to form single-molecule junctions, the researchers observed a clear correlation between molecule conformation and junction conductance. The conductance decreased with increasing twist angle, consistent with a cosine squared relation predicted for π-conjugated systems. The results were validated through conductance histograms, which showed peaks corresponding to the most prevalent molecular junction conductances. Additionally, the study demonstrated that the conductance of oligophenyls followed an exponential decay with the number of phenyl rings, providing evidence for non-resonant tunneling transport. The findings suggest that the conductance of these junctions is primarily determined by the π-overlap between the aromatic rings, rather than other electronic effects.
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