A 2D nickel-based energetic MOFs incorporating 3, 5-diamino-1, 2, 4-triazole and malonic acid: Synthesis, crystal structure and thermochemical study. (January 2016)

• Record Type: Journal Article
• Authors: Yang, Qi; Song, Xiaxia; Ge, Jing; Zhao, Guowei; Zhang, Wendou; Xie, Gang; Chen, Sanping; Gao, Shengli
• Is Part Of: Journal of chemical thermodynamics. Volume 92(2016:Jan.)
• Page Start: 132
• Page End: 138
• Publication Date: 2016-01
• Subjects: 3, 5-Diamino-1, 2, 4-triazole -- Malonic acid -- Energetic MOFs -- Standard molar enthalpy of formation -- Specific heat capacity; Thermodynamics -- Periodicals; Thermochemistry -- Periodicals; Thermodynamique -- Périodiques; Thermochimie -- Périodiques; Thermochemistry; Thermodynamics; Periodicals; 541.369
• DOI: 10.1016/j.jct.2015.09.009
• Languages: English
• ISSNs: 0021-9614

Abstract

Graphical abstract: Highlights: An energetic MOFs with dinuclear nickel unit has been synthesized and characterized. The Arrhenius equation, derived from kinetics analysis, is ln k = 55.89 − 332.01 × 10 3 / RT . The standard molar enthalpy of formation of the compound is determined by a thermochemical cycle. The molar heat capacity at T = 298.15 K is determined to be 1.42 ± 0.11 J · K −1 · g −1 . Abstract: A new energetic MOFs, {[Ni2 (C2 H5 N5 )2 (C3 H2 O4 )2 (H2 O)]·3H2 O} n (Hdatrz (C2 H5 N5 ) = 3, 5-diamino-1, 2, 4-triazole, H2 mal (C3 H4 O4 ) = malonic acid), has been synthesized and characterized by element analysis, chemical analysis, IR spectroscopy, single-crystal X-ray diffraction and thermal analysis. X-ray diffraction analysis confirmed that the compound featured a 2D layer structure with dinuclear Ni(II) unit. Thermal analysis demonstrated that the compound after dehydration have good thermostability with decomposition temperature up to 633 K. The non-isothermal kinetics for the compound was studied by Kissinger's and Ozawa's methods. The Arrhenius equation of initial thermal decomposition process of compound can be expressed as ln k = 55.89 − 332.01 × 10 3 / RT . Furthermore, a reasonable thermochemical cycle was designed based on the preparation reaction of the compound, and standard molar enthalpy of dissolution of reactants and products were measured by RD496-2000 calorimeter. Finally, the standard molar enthalpy of formation of the compound was determined to be −(2766.3 ± 2.3) kJ · mol −1 in accordance with Hess's law. In addition, the specific heat capacity of the compound at T = 298.15 K was determined to be 1.42 ± 0.11 J · K −1 · g −1 by RD496-2000 calorimeter.