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A new coordination compound based on 4-amino-3-(tetrazol-5-yl)-furazan (HAFT): preparation, crystal structure, and thermal properties

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Version 2 2018-11-18, 08:42
Version 1 2018-10-03, 09:18
journal contribution
posted on 2018-11-18, 08:42 authored by Zi-Mei Ding, Wen-Li Cao, Xiao-Jing Hang, Xiao Ma, Hui Zheng, Kang-Zhen Xu, Jie Huang

The green nitrogen-rich coordination compound Cd(SCZ)2(AFT)2 (1) (AFT =4-amino-3-(5-tetrazolate)-furazan and SCZ = semicarbazide) was first synthesized and characterized by EA and Fourier Transform Infrared (FT-IR). The single crystal was cultivated and determined with X-ray diffraction. It revealed that 1 crystallizes in the monoclinic space group P21/c. A Cd2+ ion is coordinated by four N atoms and two O atoms to form a distorted octahedral structure. Among them, two nitrogen atoms are from the two AFT ions and the other four atoms are from two SCZ molecules. The thermal decomposition behavior of 1 was studied with DSC and TG-DTG methods. The apparent activation energy (E), thermal stability, and safety parameters (T SADT, T TIT, and T b) were calculated for 1. Moreover, entropy of activation (ΔS ), enthalpy of activation (ΔH ), free energy of activation (ΔG ), specific heat capacity (C p), and impact sensitivity were also discussed in detail.

Funding

This article received financial assistance from the National Natural Science Foundation of China (No. 21241003), the Education Committee Foundation of Shaanxi Province (No. 14JF025), and the Northwest University Graduate Innovation and Creativity Funds (No. YZZ17145).

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