Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks

Abstract

Developing high-energy materials that are powerful yet safe requires a careful balance between thermal stability, mechanical strength, and detonation performance. While metal coordination is a known strategy to improve the thermal stability of energetic compounds like trinitrophloroglucinol (TNPG), mono-metallic networks often suffer from diminished detonation performance and increased sensitivity. This work introduces a new class of hetero-metallic metal–organic networks, MM′-TNPG (M/M′ = Li, Na, K), that harmonizes all critical performance parameters, including enhanced thermal stability, reduced sensitivity, and high detonation output. Particularly, we present the first systematic correlation between mechanical properties evaluated via nanoindentation and detonation performance, revealing how structural features and metal coordination govern the material's robustness and energetic behavior. Correlating mechanical properties with the detonation and safety parameters could potentially offer a predictive approach to designing safer designs of high-performance, energetic materials. The hetero-metallic systems exhibit synergistic enhancement in mechanical strength without compromising explosive efficiency. This work introduces a novel design strategy for safer, high-performance, energetic materials, establishing a vital structural–mechanical–energetic property relationship that has previously been unexplored in this field.