Fig. 5: Relaxed junction geometries and calculated transmission functions of 1L and 2H junctions.
From: Photooxidation driven formation of Fe-Au linked ferrocene-based single-molecule junctions
The relaxed junction geometries for (a) 1L and (b) 2H. Dark gray, light gray, red, yellow, and gold spheres represent C, H, Fe, S, Au atoms, respectively. c Calculated transmission functions for 1L and 2H. Frontier orbitals resonance positions are indicated by the arrows.
