In-SituModulation of Weak Interactions within a Hydrogen-BondedMetal–Organic Framework (HMOF) for Superior Propellant Application

In this study, we demonstrate the targeted insertion of additional Cu(II) into a hydrogen-bonded metal–organic framework, HMOF(Cu-atrz-nt), thereby achieving the in-situ modulation of hydrogen bonds (HBs) into coordination bonds (CBs) with virtually no alteration to the framework structure, converting HMOF(Cu-atrz-nt) into a purely coordinated MOF(Cu-atrz-nt). Significantly different from classical MOF-5 and ZIF-8, HMOF(Cu-atrz-nt) and MOF(Cu-atrz-nt) exhibit markedly stronger exothermicity along with truncated HB and CB characteristics and electronic properties, showing outstanding but distinct catalytic combustion effects on key propellant components such as RDX, HMX, CL-20, and AP. This study aims to enhance the comprehension of the weak interactions of framework materials while uncovering novel and exciting prospects for practical applications.