Mechanically-Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions
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some interest as functional elements of molecular-scale devices. Here we investigate the impact of
the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction
conductance. Measurements indicate that the conductance of the ferrocene derivative, which is
suppressed by two orders of magnitude as compared to a fully conjugated analog, can be modulated
by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects that arise from the hybridization of metal-based d-orbitals and the ligand-based π-system. By rotating the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally.