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Innovative Concept of Designing Primary Explosives by IntroducingPolymers: Preparation and Investigation of {[Ca(CHZ) 2 ](ClO 4 ) 2 } n (CHZ = carbohydrazide)
Author(s) -
Mi Zhenhao,
Chen Sitong,
Jing Zhi,
Yang Li,
Zhang Tonglai
Publication year - 2016
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201600479
Subject(s) - carbohydrazide , chemistry , coordination polymer , thermal decomposition , crystallography , crystal structure , medicinal chemistry , organic chemistry
A novel alkaline‐earth metal perchlorate coordination polymer {[Ca(CHZ) 2 ](ClO 4 ) 2 } n ( 1 , CHZ = carbohydrazide) was synthesized and characterized. The X‐ray single‐crystal diffraction results illustrate that the structure of the complex belongs to a tetragonal system, space group I ‐42 m . Every Ca 2+ ion is octa‐coordinated with four CHZ groups. The CHZ group forms a tridentate coordination mode with different Ca 2+ ions, leading to a coordination polymer structure. Therefore, the molecule is extended to a super 1D infinite polymer, and the configuration of the Ca 2+ ion is a distorted dodecahedron. The DSC results show only one exothermal decomposition process with a peak temperature of 242.2 °C. The TG‐DTG curves demonstrate a 58 % mass loss from 210–290 °C and that finally 18 % of the polymer remains. Experimental data show that the combustion heat is –6.41 MJ kg –1 and the enthalpy of formation is –610.9 kJ mol –1 . Non‐isothermal kinetic and thermodynamic parameters are obtained from Kissinger's method as well as Ozawa's method. The critical temperature of thermal explosion, Δ S ≠ , Δ H ≠ , and Δ G ≠ are calculated as 234.7 °C, 134.1 J K –1 mol –1 , 213.8 kJ mol –1 , and 147.0 kJ mol –1 , respectively. Additionally, the sensitivities towards impact and friction are assessed to be 0.5 J and 28 N from the relevant standard methods.