Enhancing shock wave energy dissipation in metallosupramolecular polymer by tuning metal-imidazole coordination interactions

The development of materials capable of shock wave energy dissipation (SWED) is critical for modern protective applications. In this study, metallosupramolecular poly(dimethylsiloxane) (PDMS) networks cross-linked with Zn 2+ , Cu 2+ , and Ni 2+ ions and imidazole ligands were designed to enhance SWED by leveraging the dynamic nature of metal-ligand coordination bonds. A laser-induced shock wave technique revealed that Cu 2+ cross-linked PDMS exhibited superior SWED performance, likely due to coordination rearrangement dynamics occurring within a relevant timescale for shock wave dissipation. Time-temperature superposition (TTS) analysis indicated that while associative ligand exchange may assist in shock attenuation, metal-ligand bond dissociation plays a more dominant role under extreme shock conditions. DFT calculations further demonstrated that coordination geometry significantly influences SWED performance, with Cu 2+ in square planar (trans) coordination exhibiting greater rupture susceptibility. These findings highlight the tunability of metal-ligand interactions as an effective strategy for optimizing energy dissipation in metallosupramolecular polymers. Additionally, they provide a comprehensive SWED mechanism analysis by synergistically integrating a laser-induced shock wave test and DFT calculations. • Metallosupramolecular PDMS networks with metal-ligand coordination bonds enhance shock wave energy dissipation (SWED). • Dynamic responses of the metallosupramolecular PDMS networks are analyzed using the time-temperature superposition principle. • Cu 2+ cross-linked PDMS exhibits superior SWED performance because the bond breaking strain of its square planar (trans) coordination is lower than the compressive strain induced by the shock wave. • Synergetic usage of laser-induced shock wave test with DFT simulations reveals that coordination geometry governs bond rupture behavior, influencing energy dissipation efficiency.