First-principles study on the mechanical and electronic properties of energetic molecular perovskites AM(ClO₄)₃ (A = C₆H₁₄N₂²⁺, C₄H₁₂N₂²⁺, C₆H₁₄N₂O²⁺; M = Na⁺, K⁺)

Abstract

Using the pCOHP method it was revealed the band gap, and the modulus properties are related to the type and strength of the M–O bonds in a series of molecular perovskite high-energetic compounds AM(ClO4)3 (A = C6H14N22+, C4H12N22+, C6H14N2O2+; M = Na+, K+).

Plastic phase transitions in tris(hydroxymethyl)aminomethane perchlorate

“…We are aware that permanganates and periodates are prone to explosive reactions. 6,49,50 To evaluate the safety of Tris-HClO 4 , the melting point tests were conducted under ambient conditions using a small amount of Tris-HClO 4 . We observed that it transitions to a liquid state at 494 K without exhibiting any signs of unusual behavior.…”