A Reversible Nitroamino-Based Switch Modulates Hydrogen-Bonding Networks in Energetic Materials

Area of Science:

• Materials Science
• Chemistry
• Crystallography

Background:

• Hydrogen-bonding networks are crucial for adaptive materials but are difficult to control in energetic materials.
• Existing molecular switches lack the ability to modulate hydrogen-bonding in high-energy compounds, limiting applications in explosives.

Purpose of the Study:

• To report the first high-energy nitroamino-based molecular switch capable of modulating hydrogen-bonding networks in energetic materials.
• To demonstrate reversible property modulation through dynamic transitions triggered by alkali-acid stimulation.

Main Methods:

• Synthesis and characterization of a novel nitroamino-based molecular switch.
• Crystallography and theoretical modeling (density of states) to elucidate the switching mechanism.
• Evaluation of the energetic properties of the synthesized compound (6-β) against classical explosives (RDX, HMX).

Main Results:

• The nitroamino-based switch successfully reconfigures hydrogen-bond networks and separates twin crystals.
• Switching modulates molecular planarity (Δθ > 60°) and optimizes the energy-stability balance.
• Compound 6-β exhibits comprehensive properties comparable to RDX and HMX.

Conclusions:

• The developed nitroamino-based molecular switch provides a generalized tool for molecular engineering and self-assembly materials design.
• This work bridges hydrogen-bonding engineering and energetic materials science, enabling superior energetic compounds for defense applications.