Two coordination polymers with 3-hydrazino-4-amino-1,2,4-triazole as ligand: synthesis, crystal structures, and non-isothermal kinetic analysis

Abstract

Two coordination polymers, [Mn 2 (HATr) 4 (NO 3 ) 4 ·2H 2 O] n (1) and [Cd 2 (HATr) 4 (NO 3 ) 4 ·H 2 O] n (2), were obtained from the corresponding metal nitrate with 3-hydrazino-4-amino-1,2,4-triazole (HATr) and characterized through elemental analysis and IR spectroscopy. The structures were determined by single-crystal X-ray diffraction. The results show that both complexes crystallize in the triclinic P-1 space group and have six-coordinate distorted octahedral structures, which are made up of infinite 1-D chains running along the a axis of metals linked by bridging-chelating HATr ligands. The coordination sites are in agreement with the computational results. Additionally, the decomposition temperatures were determined by differential scanning calorimetry and the kinetic parameters were calculated using Kissinger's and Ozawa-Doyle's methods; the energies of combustion for 1 and 2 were −7186.25 and −6922.53 kJ M −1 and the enthalpies of formation were obtained as −1002.35 and −457.27 kJ M −1 , respectively.

Alkaline and Earth Alkaline Energetic Materials Based on a Versatile and Multifunctional 1-Aminotetrazol-5-one Ligand

“…2,3 Frequently, nitrogen-rich heterocyclic ligands are used for preparation of energetic CPs. These ligands include 4-amino-1,2,4-triazole; 10,11 3-hydrazino-4-amino-1,2,4-triazole; 12 3nitro-1H-1,2,4-triazole; 13 3-(1H-tetrazol-5-yl)-1H-triazole; 14,15 4,4′-azo-1,2,4-triazole; 16 4,4′-azo-1,2,4-triazol-5-one; 17 1H,1′H-5,5′-bitetrazole; 18 1,5-diamino-tetrazole; 19 5-methyltetrazole; 20,21 5-aminotetrazole; 22 N,N′-bis(1H-tetrazole-5-yl)amine; 23 5-(1-methylhydrazinyl)-tetrazole; 24 5,5′-bistetrazole-1,1′-diolate; 25 and others (Figure 1). In the frame of our efforts to develop "greener" energetic materials, a versatile and multifunctional 1-amino-tetrazol-5-one (ATO) nitrogen-rich ligand 26 (Figure 1) was synthesized and used to prepare new energetic CPs.…”

Raman and Synchrotron X-ray Diffraction Studies of Cd2(C2H6N6)4(NO3)·4H2O under High Pressures

“…Figure 1 crystallizes in a triclinic structure with the space group P1̅ under ambient conditions. 16 The cell parameters of CdHATr are a = . 16 The asymmetric unit of CdHATr consists of metal Cd as the central cation and 3-hydrazino-4-amino-1,2,4-triazole (HATr) as the ligand and is coordinated with nitrates and water molecules.…”

“…16 The cell parameters of CdHATr are a = . 16 The asymmetric unit of CdHATr consists of metal Cd as the central cation and 3-hydrazino-4-amino-1,2,4-triazole (HATr) as the ligand and is coordinated with nitrates and water molecules. In a high-pressure environment, molecules are forced closer together, leading to changes in their structure, bonding, and properties.…”

Structural Modulation from 1D Chain to 3D Framework: Improved Thermostability, Insensitivity, and Energies of Two Nitrogen-Rich Energetic Coordination Polymers

“…2,4,6-Trinitrotoluene (TNT), 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX), and 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX), etc., were discovered more than 60 years ago and are still used as the major explosives today. Recently, research of energetic CPs has revealed a new concept for the insensitive HEDMs, that is, the nitrogen-rich CPs, formed by metal ions with organic ligands such as azide, furazan, triazoles, and tetrazoles via coordination bonds, have emerged as promising candidates for primary or secondary explosives. This new generation of energetic CPs has presented potential advantages over conventional organic explosives such as high density, low sensitivity, and high thermal stability, which are the most important properties of energetic materials and can be modulated through rational selection of metal ions and design of organic ligands.…”