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Study on Crystal Structure and Thermal Decomposition Mechanism of a Novel Coordination Compound [Zn(DAT) 2 (H 2 O) 4 ](PA) 2 ⋅2H 2 O
Author(s) -
Cui Yan,
Zhang Tonglai,
Zhang Jianguo,
Yang Li,
Zhang Jin,
Hu Xiaochun
Publication year - 2008
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.200700265
Subject(s) - monoclinic crystal system , crystallography , thermal decomposition , crystal structure , hydrogen bond , molecule , chemistry , intermolecular force , materials science , organic chemistry
A novel coordination compound [Zn(DAT) 2 (H 2 O) 4 ](PA) 2 ⋅2H 2 O has been synthesized using 1,5‐diaminotetrazole (DAT) as ligands. It crystallizes in the monoclinic space group C 2/ c , with a =1.51973(19) nm, b =0.67904(9) nm, c =3.0712(4) nm, β =90.507(2)°, V =3.1692(7) nm 3 , Z =4, and μ =0.888 mm −1 . With the intermolecular hydrogen bonds, molecules are linked together to form a three‐dimensional net structure. Thermal decomposition mechanism of the title compound was predicted based on DSC, TG‐DTG, and FT‐IR analyses. The kinetic parameters of the first exothermic process of the title compound were studied applying the Kissinger's and Ozawa–Doyle's methods.