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Synthesis and Properties of [Cd(HTRTR) 2 (H 2 O) 4 ](HTNR) 2 as an Energetic Complex
Author(s) -
Chen Sitong,
Guo Weiming,
Bi Yangang,
Zhang Tonglai
Publication year - 2016
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201600101
Subject(s) - triclinic crystal system , enthalpy , differential scanning calorimetry , chemistry , molecule , standard enthalpy of formation , crystallography , calorimetry , activation energy , analytical chemistry (journal) , kinetic energy , crystal structure , thermodynamics , physics , organic chemistry , chromatography , quantum mechanics
The energetic complex, [Cd(HTRTR) 2 (H 2 O) 4 ](HTNR) 2 {HTRTR = 4‐[3‐(1,2,4‐triazol‐yl)‐1,2,4‐triaozle; HTNR – = styphnic acid anion) was synthesized and characterized by FT‐IR spectroscopy, elemental analysis, and single‐crystal X‐ray diffraction. It crystallizes triclinic in space group P $\bar{1}$ [ a = 8.156(2) Å, b = 8.374(2) Å, c = 13.267(4) Å, α = 84.925(11)°, β = 87.016(11)°, γ = 63.683(5)°, V = 808.9(4) Å 3 , ρ = 1.940 g · cm –3 ]. The Cd II ion is six‐coordinate with two HTRTRs and four water molecules. The thermal stabilities were investigated by differential scanning calorimetry (DSC). Non‐isothermal reaction kinetic parameters were calculated by Kissinger's and Ozawa‐Doyle's methods to obtain E K = 144.0 kJ · mol –1 , lg A K = 14.22, and E O = 144.3 kJ · mol –1 . The values of thermodynamic parameters, the peak temperature while β →0 ( T p0 ), free energy of activation (Δ G ≠ ), entropy of activation (Δ S ≠ ), and enthalpy of activation (Δ H ≠ ) were obtained. Additionally, the enthalpy of formation was calculated by Hess's law on the basis of the experimental constant‐volume heat of combustion measured by bomb calorimetry, obtaining Δ f H ° 298 = 4985.5 kJ · mol –1 . Finally, the sensitivities toward impact and friction were assessed according to relevant methods. The result indicates it as an insensitive energetic material.