TY - JOUR
T1 - Synthesis, characterization and properties of perchlorate complexes with 5-hydrazinotetrazole as ligand
AU - Zhang, Zhi Bin
AU - Zhang, Jian Guo
AU - Xu, Cai Xia
AU - Yin, Xin
AU - He, Piao
N1 - Publisher Copyright:
© 2016, Editorial Board of Chinese Chinese Journal of Energetic Materials. All right reserved.
PY - 2016/1/25
Y1 - 2016/1/25
N2 - Five coordination complexes [Cd(HT)6] (ClO4)2 (1), [Zn(HT)6](ClO4)2 (2), [Ni(HT)3](ClO4)2 (3), [Co(HT)6](ClO4)2 (4), [Mn(HT)6](ClO4)2 (5) with 5-hydrazinotetrazole (5-HT) as ligands were prepared. Their structures were characterized by elemental analysis and FT-IR. The thermal decompositions were studied by differential scanning calorimetry and the impact sensitivity and friction sensitivity were also tested. The theoretical calculations of the electronic structure, natural bond orbital charge and frontier orbital energy of 5-HT were studied at B3LYP/6-311++g** level. Results show that the five complexes have good thermal stability, and the decomposition temperatures are above 200℃. N(3) and N(4) atoms of tetrazole ring are easier to coordinate with metal atoms. The friction sensitivity of complex 4 is 96%(90°, 1.96 MPa) and H50 is 25 cm with the 800 g drop hammer, which is similar to that of HTMP and BNCP, indicating a promising application in the field of primary explosive.
AB - Five coordination complexes [Cd(HT)6] (ClO4)2 (1), [Zn(HT)6](ClO4)2 (2), [Ni(HT)3](ClO4)2 (3), [Co(HT)6](ClO4)2 (4), [Mn(HT)6](ClO4)2 (5) with 5-hydrazinotetrazole (5-HT) as ligands were prepared. Their structures were characterized by elemental analysis and FT-IR. The thermal decompositions were studied by differential scanning calorimetry and the impact sensitivity and friction sensitivity were also tested. The theoretical calculations of the electronic structure, natural bond orbital charge and frontier orbital energy of 5-HT were studied at B3LYP/6-311++g** level. Results show that the five complexes have good thermal stability, and the decomposition temperatures are above 200℃. N(3) and N(4) atoms of tetrazole ring are easier to coordinate with metal atoms. The friction sensitivity of complex 4 is 96%(90°, 1.96 MPa) and H50 is 25 cm with the 800 g drop hammer, which is similar to that of HTMP and BNCP, indicating a promising application in the field of primary explosive.
KW - 5-hydrazinotetrazole (5-HT)
KW - Electronic structure
KW - Energetic complexes
KW - Mechanical sensitivity
KW - Synthesis and characterization
KW - Thermal analysis
UR - http://www.scopus.com/inward/record.url?scp=84958600100&partnerID=8YFLogxK
U2 - 10.11943/j.issn.1006-9941.2016.01.008
DO - 10.11943/j.issn.1006-9941.2016.01.008
M3 - Article
AN - SCOPUS:84958600100
SN - 1006-9941
VL - 24
SP - 53
EP - 59
JO - Hanneng Cailiao/Chinese Journal of Energetic Materials
JF - Hanneng Cailiao/Chinese Journal of Energetic Materials
IS - 1
ER -