Study on crystal structure and thermal decomposition mechanism of a novel coordination compound [Zn(DAT)2(H2O)4](PA) 2·2H2O

Yan Cui; Tonglai Zhang; Jianguo Zhang; Li Yang; Jin Zhang; Xiaochun Hu

doi:10.1002/prep.200700265

Study on crystal structure and thermal decomposition mechanism of a novel coordination compound [Zn(DAT)₂(H₂O)₄](PA) ₂·2H₂O

Yan Cui
, Tonglai Zhang^*
, Jianguo Zhang
, Li Yang
, Jin Zhang
, Xiaochun Hu

^*Corresponding author for this work

School of Mechatronical Engineering

Beijing Institute of Technology
Research Institute for Chemical Defense of China

Research output: Contribution to journal › Article › peer-review

25 Citations (Scopus)

Abstract

A novel coordination compound [Zn(DAT)₂(H₂O) ₄](PA)₂ · 2H₂O has been synthesized using 1,5-diaminotetrazole (DAT) as ligands. It crystallizes in the monoclinic space group C2/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) nm³, 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.

Original language	English
Pages (from-to)	437-442
Number of pages	6
Journal	Propellants, Explosives, Pyrotechnics
Volume	33
Issue number	6
DOIs	https://doi.org/10.1002/prep.200700265
Publication status	Published - Dec 2008

Keywords

1,5diamino-1,2,3,4-tetrazole
Coordination compound
Crystal structure
Thermal decomposition mechanism
Zinc

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10.1002/prep.200700265

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title = "Study on crystal structure and thermal decomposition mechanism of a novel coordination compound [Zn(DAT)2(H2O)4](PA) 2·2H2O",

abstract = "A novel coordination compound [Zn(DAT)2(H2O) 4](PA)2 · 2H2O has been synthesized using 1,5-diaminotetrazole (DAT) as ligands. It crystallizes in the monoclinic space group C2/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) nm3, 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.",

keywords = "1,5diamino-1,2,3,4-tetrazole, Coordination compound, Crystal structure, Thermal decomposition mechanism, Zinc",

author = "Yan Cui and Tonglai Zhang and Jianguo Zhang and Li Yang and Jin Zhang and Xiaochun Hu",

year = "2008",

month = dec,

doi = "10.1002/prep.200700265",

language = "English",

volume = "33",

pages = "437--442",

journal = "Propellants, Explosives, Pyrotechnics",

issn = "0721-3115",

publisher = "Wiley-VCH Verlag",

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T1 - Study on crystal structure and thermal decomposition mechanism of a novel coordination compound [Zn(DAT)2(H2O)4](PA) 2·2H2O

AU - Cui, Yan

AU - Zhang, Tonglai

AU - Zhang, Jianguo

AU - Yang, Li

AU - Zhang, Jin

AU - Hu, Xiaochun

PY - 2008/12

Y1 - 2008/12

N2 - A novel coordination compound [Zn(DAT)2(H2O) 4](PA)2 · 2H2O has been synthesized using 1,5-diaminotetrazole (DAT) as ligands. It crystallizes in the monoclinic space group C2/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) nm3, 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.

AB - A novel coordination compound [Zn(DAT)2(H2O) 4](PA)2 · 2H2O has been synthesized using 1,5-diaminotetrazole (DAT) as ligands. It crystallizes in the monoclinic space group C2/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) nm3, 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.

KW - 1,5diamino-1,2,3,4-tetrazole

KW - Coordination compound

KW - Crystal structure

KW - Thermal decomposition mechanism

KW - Zinc

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U2 - 10.1002/prep.200700265

DO - 10.1002/prep.200700265

M3 - Article

AN - SCOPUS:57649149768

SN - 0721-3115

VL - 33

SP - 437

EP - 442

JO - Propellants, Explosives, Pyrotechnics

JF - Propellants, Explosives, Pyrotechnics

IS - 6

ER -

Study on crystal structure and thermal decomposition mechanism of a novel coordination compound [Zn(DAT)₂(H₂O)₄](PA) ₂·2H₂O

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Keywords

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