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Fragmentation and Distortion of Terpyridine-Based Spin-Crossover Complexes on Au(111)

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Academic year: 2021

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Figure

Figure 1: Structures of the two Fe-tpy complexes 1 and 2.
Figure 3: Identification of substituents. STM to- to-pographs (width: 5.5 nm) of two tpy ligands acquired with sample voltages of (a) −1.4 V and (b) 1.0 V
Figure 4: (a–b) STM images of tpy ligands along with Fe atoms on Au(111). Molecular models are overlaid.
Table 1: Total energies of the tpy ligand in different conformations on a Au(111) slab calculated using Fireball and the LCAO-S 2 +vdW formalism

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