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Synthesis, Crystal Structure, Thermal and Explosive Properties of [Cd(SCZ) 3 (H 2 O)](PA) 2 ·3H 2 O (SCZ = Semicarbazide, PA = Picrate)
Author(s) -
Tong WenChao,
Zhang Rui,
Xue LinJun,
Xu Rui,
Zhang Lig,
Zhang TongLai,
Yang Li
Publication year - 2015
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.201400607
Subject(s) - picrate , chemistry , monoclinic crystal system , endothermic process , differential scanning calorimetry , enthalpy , thermal decomposition , crystallography , crystal structure , thermal analysis , entropy of activation , analytical chemistry (journal) , kinetics , thermodynamics , adsorption , reaction rate constant , ion , organic chemistry , thermal , physics , quantum mechanics
The heptacoordinate transition metal coordination compound [Cd(SCZ) 3 (H 2 O)](PA) 2 · 3H 2 O ( 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 P 21/ c . The Cd 2+ 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 (Δ S ≠ ), the enthalpy of activation (Δ H ≠ ), and the free energy of activation (Δ G ≠ ) were also calculated. Sensitivity tests revealed that 1 is insensitive to mechanical stimuli.