TY - JOUR
T1 - Balancing the Energy and Sensitivity of Primary Explosives
T2 - Using Isomers to Prepare Energetic Coordination Compounds
AU - Li, Shaoqun
AU - Wang, Tingwei
AU - Zhang, Chao
AU - Lu, Zujia
AU - Chu, Enyi
AU - Yu, Qiyao
AU - Zhang, Jianguo
N1 - Publisher Copyright:
© 2025 American Chemical Society.
PY - 2025/2/3
Y1 - 2025/2/3
N2 - The performance of energetic coordination compounds (ECCs) is influenced by their components and structure. Modifying the chemical structure of the ligands can balance the detonation performance and sensitivity. This study introduced Cu(3-PZCA)2(ClO4)2 (ECCs-1) and Cu(2-IZCA)2(ClO4)2 (ECCs-2), using 3-PZCA and 2-IZCA as ligands. ECCs-2, with a higher symmetry and fewer nitrogen chains, showed the highest thermal decomposition temperature (225 °C). Both ECCs displayed high mechanical sensitivity, with ECCs-2 being slightly less sensitive (IS = 3 J, FS = 8 N). They shared similar detonation properties and ignition capabilities, with ECCs-1 having the highest detonation velocity (7.1 km·s-1) and pressure (23.5 GPa). Initiation tests confirmed their excellent performance and similar DDT. The theoretical decomposition mechanism suggests a free radical reaction, explaining their consistent mechanical sensitivity, ignition, and initiation capabilities. A “SP-DM-DSC-MS-DA” structure-property relationship was established, providing a theoretical foundation for studying Cu(ClO4)2-ECCs and their isomers.
AB - The performance of energetic coordination compounds (ECCs) is influenced by their components and structure. Modifying the chemical structure of the ligands can balance the detonation performance and sensitivity. This study introduced Cu(3-PZCA)2(ClO4)2 (ECCs-1) and Cu(2-IZCA)2(ClO4)2 (ECCs-2), using 3-PZCA and 2-IZCA as ligands. ECCs-2, with a higher symmetry and fewer nitrogen chains, showed the highest thermal decomposition temperature (225 °C). Both ECCs displayed high mechanical sensitivity, with ECCs-2 being slightly less sensitive (IS = 3 J, FS = 8 N). They shared similar detonation properties and ignition capabilities, with ECCs-1 having the highest detonation velocity (7.1 km·s-1) and pressure (23.5 GPa). Initiation tests confirmed their excellent performance and similar DDT. The theoretical decomposition mechanism suggests a free radical reaction, explaining their consistent mechanical sensitivity, ignition, and initiation capabilities. A “SP-DM-DSC-MS-DA” structure-property relationship was established, providing a theoretical foundation for studying Cu(ClO4)2-ECCs and their isomers.
UR - http://www.scopus.com/inward/record.url?scp=85216354298&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.4c04842
DO - 10.1021/acs.inorgchem.4c04842
M3 - Article
AN - SCOPUS:85216354298
SN - 0020-1669
VL - 64
SP - 2020
EP - 2029
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 4
ER -