Synthesis and structural characterization of a new 1D polymeric energetic complex [Hg(DAT)Cl2]n (DAT = 1,5-diaminotetrazole)

Zhi Min Li; Jian Guo Zhang; Wei Yang; Mou Sun; Tong Lai Zhang

Synthesis and structural characterization of a new 1D polymeric energetic complex [Hg(DAT)Cl₂]_n (DAT = 1,5-diaminotetrazole)

Zhi Min Li, Jian Guo Zhang^*, Wei Yang, Mou Sun, Tong Lai Zhang

^*Corresponding author for this work

School of Mechatronical Engineering

Beijing Institute of Technology

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

7 Citations (Scopus)

Abstract

A new energetic complex [Hg(DAT)Cl₂]_n was synthesized by the reaction of 1,5-diaminotetrazole with mercury bichloride and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system with P2₁/c space group, and a = 4.0342(3), b = 17.7999(12), c = 10.0127(7) Å, β = 91.558(1)°, V = 718.73(9) Å³, Z = 4, CH ₄Cl₂HgN₆, M_r = 371.59, D_c = 3.434 g·cm^-3, F(000) = 664, S = 1.037, the final R = 0.0223 and wR = 0.0642 for 1646 observed reflections with I > 2σ(I). The central Hg is coordinated by one N atom from 1,5-diaminotetrazole and one mono-dentate terminal chloride and two bi-dentate bridging chloride ligands. Adjacent Hg cations were connected by the bi-dentate Cl to form a 1D zigzag supramolecular chain along the a-axis.

Original language	English
Pages (from-to)	653-658
Number of pages	6
Journal	Jiegou Huaxue
Volume	32
Issue number	5
Publication status	Published - 15 May 2013

Keywords

1,5-Diaminotetrazole
Crystal structure
Energetic materials
Mercury complex

Cite this

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title = "Synthesis and structural characterization of a new 1D polymeric energetic complex [Hg(DAT)Cl2]n (DAT = 1,5-diaminotetrazole)",

abstract = "A new energetic complex [Hg(DAT)Cl2]n was synthesized by the reaction of 1,5-diaminotetrazole with mercury bichloride and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system with P21/c space group, and a = 4.0342(3), b = 17.7999(12), c = 10.0127(7) {\AA}, β = 91.558(1)°, V = 718.73(9) {\AA}3, Z = 4, CH 4Cl2HgN6, Mr = 371.59, Dc = 3.434 g·cm-3, F(000) = 664, S = 1.037, the final R = 0.0223 and wR = 0.0642 for 1646 observed reflections with I > 2σ(I). The central Hg is coordinated by one N atom from 1,5-diaminotetrazole and one mono-dentate terminal chloride and two bi-dentate bridging chloride ligands. Adjacent Hg cations were connected by the bi-dentate Cl to form a 1D zigzag supramolecular chain along the a-axis.",

keywords = "1,5-Diaminotetrazole, Crystal structure, Energetic materials, Mercury complex",

author = "Li, {Zhi Min} and Zhang, {Jian Guo} and Wei Yang and Mou Sun and Zhang, {Tong Lai}",

year = "2013",

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day = "15",

language = "English",

volume = "32",

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journal = "Jiegou Huaxue",

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AU - Li, Zhi Min

AU - Zhang, Jian Guo

AU - Yang, Wei

AU - Sun, Mou

AU - Zhang, Tong Lai

PY - 2013/5/15

Y1 - 2013/5/15

N2 - A new energetic complex [Hg(DAT)Cl2]n was synthesized by the reaction of 1,5-diaminotetrazole with mercury bichloride and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system with P21/c space group, and a = 4.0342(3), b = 17.7999(12), c = 10.0127(7) Å, β = 91.558(1)°, V = 718.73(9) Å3, Z = 4, CH 4Cl2HgN6, Mr = 371.59, Dc = 3.434 g·cm-3, F(000) = 664, S = 1.037, the final R = 0.0223 and wR = 0.0642 for 1646 observed reflections with I > 2σ(I). The central Hg is coordinated by one N atom from 1,5-diaminotetrazole and one mono-dentate terminal chloride and two bi-dentate bridging chloride ligands. Adjacent Hg cations were connected by the bi-dentate Cl to form a 1D zigzag supramolecular chain along the a-axis.

AB - A new energetic complex [Hg(DAT)Cl2]n was synthesized by the reaction of 1,5-diaminotetrazole with mercury bichloride and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system with P21/c space group, and a = 4.0342(3), b = 17.7999(12), c = 10.0127(7) Å, β = 91.558(1)°, V = 718.73(9) Å3, Z = 4, CH 4Cl2HgN6, Mr = 371.59, Dc = 3.434 g·cm-3, F(000) = 664, S = 1.037, the final R = 0.0223 and wR = 0.0642 for 1646 observed reflections with I > 2σ(I). The central Hg is coordinated by one N atom from 1,5-diaminotetrazole and one mono-dentate terminal chloride and two bi-dentate bridging chloride ligands. Adjacent Hg cations were connected by the bi-dentate Cl to form a 1D zigzag supramolecular chain along the a-axis.

KW - 1,5-Diaminotetrazole

KW - Crystal structure

KW - Energetic materials

KW - Mercury complex

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M3 - Article

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SN - 0254-5861

VL - 32

SP - 653

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JO - Jiegou Huaxue

JF - Jiegou Huaxue

IS - 5

ER -

Synthesis and structural characterization of a new 1D polymeric energetic complex [Hg(DAT)Cl₂]_n (DAT = 1,5-diaminotetrazole)

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