Synthesis, Crystal Structure, Thermal and Explosive Properties of [Cd(SCZ)3(H2O)](PA)2·3H2O (SCZ = Semicarbazide, PA = Picrate)

Wen Chao Tong; Rui Zhang; Lin Jun Xue; Rui Xu; Li Nong Zhang; Tong Lai Zhang; Li Yang

doi:10.1002/zaac.201400607

Synthesis, Crystal Structure, Thermal and Explosive Properties of [Cd(SCZ)₃(H₂O)](PA)₂·3H₂O (SCZ = Semicarbazide, PA = Picrate)

Wen Chao Tong
, Rui Zhang
, Lin Jun Xue
, Rui Xu
, Li Nong Zhang
, Tong Lai Zhang
, Li Yang

School of Mechatronical Engineering

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

5 Citations (Scopus)

Abstract

The heptacoordinate transition metal coordination compound [Cd(SCZ)₃(H₂O)](PA)₂·3H₂O (1) with the ligand semicarbazide (SCZ) and the counteranion picrate (PA) was synthesized and characterized by elemental analysis and FTIR spectroscopy. Single-crystal X-ray diffraction analysis revealed that 1 crystallizes in the monoclinic space group P21/c. The Cd²⁺ ion is heptacoordinated by three SCZ groups and a water molecule. SCZ presents typical bidentate coordination modes. The thermal decomposition mechanism of 1 was studied by differential scanning calorimetry (DSC), which revealed that complex 1 exhibits three small endothermic and two large exothermic processes. The non-isothermal kinetics parameters were calculated by the Kissinger's method and Ozawa-Doyle's method, respectively. The heat of combustion was measured by oxygen bomb calorimetry. The enthalpy of formation, the critical temperature of thermal explosion, the entropy of activation (ΔS^≠), the enthalpy of activation (ΔH^≠), and the free energy of activation (ΔG^≠) were also calculated. Sensitivity tests revealed that 1 is insensitive to mechanical stimuli.

Original language	English
Pages (from-to)	1225-1229
Number of pages	5
Journal	Zeitschrift fur Anorganische und Allgemeine Chemie
Volume	641
Issue number	7
DOIs	https://doi.org/10.1002/zaac.201400607
Publication status	Published - 1 Jun 2015

Keywords

Cadmium
Energetic materials
Heptacoordination
Semicarbazide
X-ray diffraction

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10.1002/zaac.201400607

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title = "Synthesis, Crystal Structure, Thermal and Explosive Properties of [Cd(SCZ)3(H2O)](PA)2·3H2O (SCZ = Semicarbazide, PA = Picrate)",

abstract = "The heptacoordinate transition metal coordination compound [Cd(SCZ)3(H2O)](PA)2·3H2O (1) with the ligand semicarbazide (SCZ) and the counteranion picrate (PA) was synthesized and characterized by elemental analysis and FTIR spectroscopy. Single-crystal X-ray diffraction analysis revealed that 1 crystallizes in the monoclinic space group P21/c. The Cd2+ ion is heptacoordinated by three SCZ groups and a water molecule. SCZ presents typical bidentate coordination modes. The thermal decomposition mechanism of 1 was studied by differential scanning calorimetry (DSC), which revealed that complex 1 exhibits three small endothermic and two large exothermic processes. The non-isothermal kinetics parameters were calculated by the Kissinger's method and Ozawa-Doyle's method, respectively. The heat of combustion was measured by oxygen bomb calorimetry. The enthalpy of formation, the critical temperature of thermal explosion, the entropy of activation (ΔS≠), the enthalpy of activation (ΔH≠), and the free energy of activation (ΔG≠) were also calculated. Sensitivity tests revealed that 1 is insensitive to mechanical stimuli.",

keywords = "Cadmium, Energetic materials, Heptacoordination, Semicarbazide, X-ray diffraction",

author = "Tong, \{Wen Chao\} and Rui Zhang and Xue, \{Lin Jun\} and Rui Xu and Zhang, \{Li Nong\} and Zhang, \{Tong Lai\} and Li Yang",

note = "Publisher Copyright: Copyright {\textcopyright} 2015 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim.",

year = "2015",

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doi = "10.1002/zaac.201400607",

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TY - JOUR

T1 - Synthesis, Crystal Structure, Thermal and Explosive Properties of [Cd(SCZ)3(H2O)](PA)2·3H2O (SCZ = Semicarbazide, PA = Picrate)

AU - Tong, Wen Chao

AU - Zhang, Rui

AU - Xue, Lin Jun

AU - Xu, Rui

AU - Zhang, Li Nong

AU - Zhang, Tong Lai

AU - Yang, Li

PY - 2015/6/1

Y1 - 2015/6/1

N2 - The heptacoordinate transition metal coordination compound [Cd(SCZ)3(H2O)](PA)2·3H2O (1) with the ligand semicarbazide (SCZ) and the counteranion picrate (PA) was synthesized and characterized by elemental analysis and FTIR spectroscopy. Single-crystal X-ray diffraction analysis revealed that 1 crystallizes in the monoclinic space group P21/c. The Cd2+ ion is heptacoordinated by three SCZ groups and a water molecule. SCZ presents typical bidentate coordination modes. The thermal decomposition mechanism of 1 was studied by differential scanning calorimetry (DSC), which revealed that complex 1 exhibits three small endothermic and two large exothermic processes. The non-isothermal kinetics parameters were calculated by the Kissinger's method and Ozawa-Doyle's method, respectively. The heat of combustion was measured by oxygen bomb calorimetry. The enthalpy of formation, the critical temperature of thermal explosion, the entropy of activation (ΔS≠), the enthalpy of activation (ΔH≠), and the free energy of activation (ΔG≠) were also calculated. Sensitivity tests revealed that 1 is insensitive to mechanical stimuli.

AB - The heptacoordinate transition metal coordination compound [Cd(SCZ)3(H2O)](PA)2·3H2O (1) with the ligand semicarbazide (SCZ) and the counteranion picrate (PA) was synthesized and characterized by elemental analysis and FTIR spectroscopy. Single-crystal X-ray diffraction analysis revealed that 1 crystallizes in the monoclinic space group P21/c. The Cd2+ ion is heptacoordinated by three SCZ groups and a water molecule. SCZ presents typical bidentate coordination modes. The thermal decomposition mechanism of 1 was studied by differential scanning calorimetry (DSC), which revealed that complex 1 exhibits three small endothermic and two large exothermic processes. The non-isothermal kinetics parameters were calculated by the Kissinger's method and Ozawa-Doyle's method, respectively. The heat of combustion was measured by oxygen bomb calorimetry. The enthalpy of formation, the critical temperature of thermal explosion, the entropy of activation (ΔS≠), the enthalpy of activation (ΔH≠), and the free energy of activation (ΔG≠) were also calculated. Sensitivity tests revealed that 1 is insensitive to mechanical stimuli.

KW - Cadmium

KW - Energetic materials

KW - Heptacoordination

KW - Semicarbazide

KW - X-ray diffraction

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DO - 10.1002/zaac.201400607

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ER -

Synthesis, Crystal Structure, Thermal and Explosive Properties of [Cd(SCZ)₃(H₂O)](PA)₂·3H₂O (SCZ = Semicarbazide, PA = Picrate)

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