Charge Transport Through a Cardan‐Joint Molecule

摘要: The charge transport through a single ruthenium atom clamped by two terpyridine hinges is investigated, both experimentally and theoretically. metal-bis(terpyridyl) core equipped with rigid, conjugated linkers of para-acetyl-mercapto phenylacetylene to establish electrical contact in two-terminal configuration using Au electrodes. structure the [Ru(II)(L)(2)](PF(6))(2) molecule determined single-crystal X-ray crystallography, which yields good agreement calculations based on density functional theory (DFT). By means mechanically controllable break-junction technique, current-voltage (I-V), characteristics are acquired single-molecule level under ultra-high vacuum (UHV) conditions at various temperatures. These results compared ab initio DFT. simulations show that cardan-joint structural element controls magnitude current. Moreover, fluctuations cardan angle leave positions steps I-V curve largely invariant. As consequence, experimental exhibit lowest-unoccupied-molecular-orbit-based conductance peaks particular voltages, also found be temperature independent.