Akademik Veri Yönetim Sistemi
Structural Chemistry, cilt.11, sa.12, ss.1-15, 2024 (SCI-Expanded)
To
modify the physical features and extend applications of the
3-nitro-1,2,4-triazol-5-one (NTO), we synthesized NTO with acridine (ACR) at a
molar ratio of 1:1, a neutralization reaction. Through
altering the chemical composition, it was possible to alter physical properties
such as thermal stability, free space (voids), packing coefficient, crystal density, difference in pKa of
co-formers, morphology, solubility, impact sensitivity, and calculated
detonation parameters. It appears that
physical attributes could be entirely altered. Single-crystal and powder X-ray diffraction
methods, infrared spectroscopy, mass spectrometry, nuclear magnetic resonance
spectroscopy (1H-NMR and 13C-NMR), and thermal analysis
were utilized to comprehensively characterize and confirm the formation of the structure
of NTO: ACR. The substantial hydrogen bond interactions and planar
layered structures observed between
the cations and anions generated a complex 3D network, providing insight into
the structure-property interrelationship. One intriguing feature discovered is the layered
structure present in NTO:ACR, which may be responsible for the low impact
sensitivity. According to the experimental results,
NTO: ACR showed good thermal stability (Td = 229 °C) and outstanding impact
sensitivity (IS = 100 J). Detonation
velocity and pressure, were calculated using the EXPLO5 software program and
found to be 7006 m·s-1, 20.02 G Pa, respectively.