Interestingly, NC pairs capped with d1NR ligands retain attractive interactions, with the fragment shift predominantly affecting the strength of the attraction in the touch mode, while leaving the lock mode largely unchanged (Figure ). Specifically, compared to the dNR ligand system, the attractive well depth ε t for the d1NR system decreases from -17.2 kJ/mol to -3.0 kJ/mol, indicating a substantial weakening of the attraction in the touch mode, while the lock mode potential (ε l ) changes only slightly, from -25.0 kJ/mol to -20.5 kJ/mol. The order of ligand bundles can also be reduced by introducing a DB or BC fragment into the middle of the ligand chain (Figure ). To this end, we designed a set of ligands combining d-position BR and NR fragments with m-position DB and BC fragments. For the dBR ligand, introducing DB and BC into the middle of the ligand chain eliminates the original strong attractions (Fig. ). For the dNR system, the introduction of BR and DB fragments produces effects similar to the d1NR ligands, weakening the attraction in the touch mode while retaining some degree of attraction in the lock mode (Figure ). The PMF for the mDB-dNR and mBC-dNR ligand systems at the equilibrium distance of the dNR touch mode is -3.5 kJ/mol and -1.4 kJ/mol, respectively, with the metastable touch states absent (Figure ). Compared to the dNR system, the well depth (ε l ) for the mDB-dNR and mBC-dNR systems increases by 15.8 kJ/mol and 13.7 kJ/mol, respectively, still showing a degree of attractive interaction (Figure ). This difference in attraction strength is likely due to the lower number of adsorbed ligands in mBC-dNR (n max = 375) compared to mDB-dNR (n max = 400).