Synthesis, crystal structure, and thermal properties of the energetic coordination compound [Co(DAT)2(H2O)4](HTNR) 2·2H2O (DAT = 1,5-diaminotetrazole)

Jianguo Zhang; Lei Wei; Yan Cui; Tonglai Zhang; Zunning Zhou; Li Yang

doi:10.1002/zaac.201100222

Synthesis, crystal structure, and thermal properties of the energetic coordination compound [Co(DAT)₂(H₂O)₄](HTNR) ₂·2H₂O (DAT = 1,5-diaminotetrazole)

Jianguo Zhang^*
, Lei Wei
, Yan Cui
, Tonglai Zhang
, Zunning Zhou
, Li Yang

^*此作品的通讯作者

机电学院

Beijing Institute of Technology
Research Institute for Chemical Defense of China

科研成果: 期刊稿件 › 文章 › 同行评审

5 引用（Scopus）

摘要

A new coordination complex, [Co(DAT)₂(H₂O) ₄](HTNR)₂·2H₂O [DAT = 1,5-diaminotetrazole, HTNR = 2,4,6-trinitroresorcinol (styphnic acid)], was obtained in high yield and characterized by elemental analysis and Fourier-transform infrared (FT-IR) spectroscopy. The molecular structure of [Co(DAT)₂(H₂O)₄](HTNR)₂· 2H₂O in the crystalline state is determined by X-ray crystallography is as follows: monoclinic, C2/c, a = 19.216(3) Å, b = 5.4992(8) Å, c = 30.418(5) Å, β = 104.500(5), V = 3112.0(8) Å³, Z = 4, ρ_calc. = 1.851 g·cm^-3, R₁ = 0.0271 and wR₂ = (all data) 0.0674. The central cobalt(II) cation is coordinated by two nitrogen atoms of two DAT and four oxygen atoms of four H₂O ligand molecules to form a six-coordinate and slightly distorted octahedral structure. Extensive intermolecular hydrogen bonds link molecular units of [Co(DAT)₂(H₂O)₄(HTNR) ₂·2H₂O together to form a 3D net structure with pore canals. The thermal decomposition mechanism for the title compound was predicted based on DSC, TG-DTG, and FT-IR analyses and non-kinetic parameters of the first exothermic process were estimated by applying the Kissinger, Starink, and Ozawa-Doyle methods.

源语言	英语
页（从-至）	1527-1532
页数	6
期刊	Zeitschrift fur Anorganische und Allgemeine Chemie
卷	637
期	11
DOI	https://doi.org/10.1002/zaac.201100222
出版状态	已出版 - 9月 2011

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10.1002/zaac.201100222

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@article{e08ea5a4fa304d3e83055949855c26e3,

title = "Synthesis, crystal structure, and thermal properties of the energetic coordination compound [Co(DAT)2(H2O)4](HTNR) 2·2H2O (DAT = 1,5-diaminotetrazole)",

abstract = "A new coordination complex, [Co(DAT)2(H2O) 4](HTNR)2·2H2O [DAT = 1,5-diaminotetrazole, HTNR = 2,4,6-trinitroresorcinol (styphnic acid)], was obtained in high yield and characterized by elemental analysis and Fourier-transform infrared (FT-IR) spectroscopy. The molecular structure of [Co(DAT)2(H2O)4](HTNR)2· 2H2O in the crystalline state is determined by X-ray crystallography is as follows: monoclinic, C2/c, a = 19.216(3) {\AA}, b = 5.4992(8) {\AA}, c = 30.418(5) {\AA}, β = 104.500(5), V = 3112.0(8) {\AA}3, Z = 4, ρcalc. = 1.851 g·cm-3, R1 = 0.0271 and wR2 = (all data) 0.0674. The central cobalt(II) cation is coordinated by two nitrogen atoms of two DAT and four oxygen atoms of four H2O ligand molecules to form a six-coordinate and slightly distorted octahedral structure. Extensive intermolecular hydrogen bonds link molecular units of [Co(DAT)2(H2O)4(HTNR) 2·2H2O together to form a 3D net structure with pore canals. The thermal decomposition mechanism for the title compound was predicted based on DSC, TG-DTG, and FT-IR analyses and non-kinetic parameters of the first exothermic process were estimated by applying the Kissinger, Starink, and Ozawa-Doyle methods.",

keywords = "1,5-Diaminotetrazole, Cobalt, Crystal structure, Non-isothermal kinetics, Thermal properties",

author = "Jianguo Zhang and Lei Wei and Yan Cui and Tonglai Zhang and Zunning Zhou and Li Yang",

year = "2011",

month = sep,

doi = "10.1002/zaac.201100222",

language = "English",

volume = "637",

pages = "1527--1532",

journal = "Zeitschrift fur Anorganische und Allgemeine Chemie",

issn = "0044-2313",

publisher = "Wiley-VCH Verlag",

number = "11",

}

TY - JOUR

T1 - Synthesis, crystal structure, and thermal properties of the energetic coordination compound [Co(DAT)2(H2O)4](HTNR) 2·2H2O (DAT = 1,5-diaminotetrazole)

AU - Zhang, Jianguo

AU - Wei, Lei

AU - Cui, Yan

AU - Zhang, Tonglai

AU - Zhou, Zunning

AU - Yang, Li

PY - 2011/9

Y1 - 2011/9

N2 - A new coordination complex, [Co(DAT)2(H2O) 4](HTNR)2·2H2O [DAT = 1,5-diaminotetrazole, HTNR = 2,4,6-trinitroresorcinol (styphnic acid)], was obtained in high yield and characterized by elemental analysis and Fourier-transform infrared (FT-IR) spectroscopy. The molecular structure of [Co(DAT)2(H2O)4](HTNR)2· 2H2O in the crystalline state is determined by X-ray crystallography is as follows: monoclinic, C2/c, a = 19.216(3) Å, b = 5.4992(8) Å, c = 30.418(5) Å, β = 104.500(5), V = 3112.0(8) Å3, Z = 4, ρcalc. = 1.851 g·cm-3, R1 = 0.0271 and wR2 = (all data) 0.0674. The central cobalt(II) cation is coordinated by two nitrogen atoms of two DAT and four oxygen atoms of four H2O ligand molecules to form a six-coordinate and slightly distorted octahedral structure. Extensive intermolecular hydrogen bonds link molecular units of [Co(DAT)2(H2O)4(HTNR) 2·2H2O together to form a 3D net structure with pore canals. The thermal decomposition mechanism for the title compound was predicted based on DSC, TG-DTG, and FT-IR analyses and non-kinetic parameters of the first exothermic process were estimated by applying the Kissinger, Starink, and Ozawa-Doyle methods.

AB - A new coordination complex, [Co(DAT)2(H2O) 4](HTNR)2·2H2O [DAT = 1,5-diaminotetrazole, HTNR = 2,4,6-trinitroresorcinol (styphnic acid)], was obtained in high yield and characterized by elemental analysis and Fourier-transform infrared (FT-IR) spectroscopy. The molecular structure of [Co(DAT)2(H2O)4](HTNR)2· 2H2O in the crystalline state is determined by X-ray crystallography is as follows: monoclinic, C2/c, a = 19.216(3) Å, b = 5.4992(8) Å, c = 30.418(5) Å, β = 104.500(5), V = 3112.0(8) Å3, Z = 4, ρcalc. = 1.851 g·cm-3, R1 = 0.0271 and wR2 = (all data) 0.0674. The central cobalt(II) cation is coordinated by two nitrogen atoms of two DAT and four oxygen atoms of four H2O ligand molecules to form a six-coordinate and slightly distorted octahedral structure. Extensive intermolecular hydrogen bonds link molecular units of [Co(DAT)2(H2O)4(HTNR) 2·2H2O together to form a 3D net structure with pore canals. The thermal decomposition mechanism for the title compound was predicted based on DSC, TG-DTG, and FT-IR analyses and non-kinetic parameters of the first exothermic process were estimated by applying the Kissinger, Starink, and Ozawa-Doyle methods.

KW - 1,5-Diaminotetrazole

KW - Cobalt

KW - Crystal structure

KW - Non-isothermal kinetics

KW - Thermal properties

UR - https://www.scopus.com/pages/publications/80053211750

U2 - 10.1002/zaac.201100222

DO - 10.1002/zaac.201100222

M3 - Article

AN - SCOPUS:80053211750

SN - 0044-2313

VL - 637

SP - 1527

EP - 1532

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

IS - 11

ER -

Synthesis, crystal structure, and thermal properties of the energetic coordination compound [Co(DAT)2(H2O)4](HTNR) 2·2H2O (DAT = 1,5-diaminotetrazole)

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Synthesis, crystal structure, and thermal properties of the energetic coordination compound [Co(DAT)₂(H₂O)₄](HTNR) ₂·2H₂O (DAT = 1,5-diaminotetrazole)