In-Situ Modulation of Weak Interactions within a Hydrogen-Bonded Metal–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.