Premium
Crystal Structure and Properties of an Energetic Perchlorate Complex Compound with Copper and Cytosine
Author(s) -
Lewczuk Rafał,
Rećko Judyta,
Wojtulewski Sławomir
Publication year - 2021
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.202000304
Subject(s) - orthorhombic crystal system , differential scanning calorimetry , crystallography , chemistry , perchlorate , crystal structure , detonation velocity , copper , thermal decomposition , single crystal , molecule , infrared spectroscopy , crystal (programming language) , detonation , explosive material , ion , organic chemistry , physics , computer science , programming language , thermodynamics
A coordination compound from copper(II) perchlorate with cytosine was synthesized. The molecule contains copper(II) cation, four cytosine ligands, and two perchlorate anions. The single crystals of the compound were grown from the methanol solution. The crystal structure was determined by single‐crystal X‐ray diffraction. The compound crystallizes in the orthorhombic system ( Pbcn space group) with crystal parameters: a=19.454(2) Å, b=10.185(2) Å, c=13.604(1) Å, V=2695.83(5) Å 3 , Z=4, and F(000)=1508 as a solvate with one methanol molecule in the asymmetric unit. It was characterized with elemental analysis, differential scanning calorimetry (temperature of decomposition – 270.1 °C), differential thermal analysis, infrared spectroscopy. Small‐scale safety testing was done to determine the impact and friction sensitivity. The title compound has sensitivity typical to secondary explosives (7.5 J, 230 N). Measured density and enthalpy of formation were used to calculate detonation parameters. With detonation velocity and pressure of 6132 m/s and 14.6 GPa, respectively, it has the moderate performance.