Here, we have developed a geometric model to translate the DIPSHIFT results into the "dynamic volume" of chain segments . In this model, the motional amplitude (equivalent to the opening angle that calculated from the residual dipolar coupling, Table -S5) of a C-H dipole vector is assumed to be linearly correlated to that of the corresponding chain segment (Figure ). Based on its motional amplitude and its position on the chain, the dynamic volume of a CH2/CH3 unit can be determined (Figure ). This dynamic volume can be simply regarded as a disk-shaped space that confines the movement of the CH2 unit (Figure ). The interaction energy for each carbon unit arises from the intermolecular cohesive energy considering its interaction with nearby carbon units on neighboring ligands. Mathematically, the interaction energy of a CH2 unit is inversely proportional to its dynamic volume. Finally, the total interaction energy of a ligand is obtained by counting the energies of all carbon units (Figure ). This dynamic volume analysis is potentially amendable for NC-ligands complexes of variable sizes and shapes, with variable ligand densities and lengths, and for aliphatic ligands with other head groups, e.g., thiols, phosphates, amines, etc.