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Citation: ZHANG Jin, ZHANG Tong-Lai, YANG Li, ZHANG Jian-Guo, CUI Yan. Preparation, Crystal Structure and Thermal Decomposition Character of [Ni(CHZ)₃]SO₄·3H₂O[J]. Acta Physico-Chimica Sinica, ;2008, 24(05): 760-766. doi: 10.1016/S1872-1508(08)60032-7 shu

Preparation, Crystal Structure and Thermal Decomposition Character of [Ni(CHZ)₃]SO₄·3H₂O

1.
State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, P. R. China

Received Date: 17 December 2007
Available Online: 13 March 2008

A new coordination compound [Ni(CHZ)3]SO4·3H2O (CHZ = carbohydrazide) was synthesized and characterized by elemental analysis and fourier transforminfrared (FTIR) spectra, and its crystal structure was determined by X-ray single crystal diffraction. The crystal belonged to the triclinic system, space group P1 with a=0.85237(1) nm, b=0.90964(1) nm, c=1.22559(2) nm, β=96.731(2)°, V=0.8849(2) nm3, Z=2, Dc=1.798 g·cm-3. In the asymmetric unit, three carbohydrazide (CHZ) bidentate ligands were coordinated with a Ni(II) cation by carbonyl O atoms and terminal N atoms of the hydrazine groups to form three planar chelate rings which were vertical to one another. Ni(II) cations, CHZ ligand molecules, sulfate anions, and lattice water molecules were jointed to a complicated three-dimensional network structure through coordination bonds, electrostatic forces and extensive hydrogen bonds. Natural bond orbital (NBO) atomic charges of CHZ were obtained from the density functional theory (DFT) method at the B3LYP/6-311+G* level to interpret the reason why the coordination sites in carbohydrazide molecule were the oxygen atom of the carbonyl group and terminal N atoms of the hydrazine group. The thermal decomposition mechanism was tested through differential scanning calorimetry (DSC), thermogravimetric analyses, and Fourier transform infrared spectra. The kinetic parameters of the two exothermic processes of the title compound were studied applying the Kissinger’s and Ozawa-Doyle’s methods. The results indicated that the title complex possessed high energy and od thermal stability.
- Ni(II) coordination compound,
- Carbohydrazide,
- Crystal structure,
- Thermal decomposition
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沈阳化工大学材料科学与工程学院沈阳 110142

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Preparation, Crystal Structure and Thermal Decomposition Character of [Ni(CHZ)3]SO4·3H2O

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通讯作者: 陈斌, bchen63@163.com

Preparation, Crystal Structure and Thermal Decomposition Character of [Ni(CHZ)₃]SO₄·3H₂O