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Thermodynamics and Catalytic Properties of Two Novel Energetic Complexes Based on 3-Amino-1,2,4-triazole-5-carboxylic Acid.

ABSTRACT: For energetic materials (EMs), the key point of the present research is to improve the energetic property and reduce sensitivity. In this work, two new energetic complexes, Mn(atzc)₂(H₂O)₂·2H₂O (1) and Zn(atzc)₂(H₂O) (2) (Hatzc = 3-amino-1,2,4-triazole-5-carboxylic acid), were synthesized by solvent evaporation and diffusion methods, respectively. The structural analyses illustrate that 1 and 2 exhibit zero-dimensional structural units, which are linked by hydrogen-bonding interactions to give three-dimensional supramolecular architectures. For complexes 1 and 2, the detonation velocities (D) are 10.4 and 10.2 km·s^-1 and detonation pressures (P) are 48.7 and 48.6 GPa, respectively. They are higher than most of the reported EMs, which present prominent detonation characteristics. In addition, two complexes can accelerate the thermal decomposition of ammonium perchlorate and exhibit excellent catalytic activity. Therefore, the two complexes can serve as a new class of promising EMs, which have potential application in the design of new high-efficiency solid catalysts.

SUBMITTER: Song H

PROVIDER: S-EPMC8793045 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Multidimensional transition metal complexes based on 3-amino-1H-1,2,4-triazole-5-carboxylic acid: from discrete mononuclear complexes to layered materials.

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4-Amino-3,5-dimethyl-4H-1,2,4-triazole.

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5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole.

Project description:The asymmetric unit of the title compound, C(4)H(5)N(7), comprises two independent but virtually superimposable mol-ecules. Each mol-ecule is planar with the dihedral angles between the five-membered rings being 2.8?(3) and 2.1?(3)°. The crystal structure is formed by an extensive network of relatively strong N-H?N hydrogen-bond inter-actions. Individual mol-ecules are arranged into supra-molecular zigzag chains running parallel to [001] by way of the strongest N-H?N inter-actions. Adjacent chains are inter-connected by rather long (D?A distances range from ca 3.00 to 3.03?Å) but highly directional (inter-action angles above ca 173°) hydrogen bonds forming a supra-molecular layer in the bc plane.

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5-Amino-3-methyl-1-phenyl-1H-1,2,4-triazole.

Project description:In the title compound, C(9)H(10)N(4), the phenyl and triazole rings make a dihedral angle of 38.80?(2)°. N-H?N hydrogen bonds link the mol-ecules, forming centrosymmetric R(2) (2)(8) rings; these rings are inter-connected through a C(5) chain, building up a zigzag layer parallel to the (100) plane.

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Project description:The title compound, C(13)H(17)N(5), is a Schiff base synthesized by the reaction of 4-amino-4H-1,2,4-triazole and 4-(diethyl-amino)benzaldehyde. The triazole ring forms a dihedral angle of 5.77?(16)° with the benzene ring. The crystal structure is stabilized by an inter-molecular C-H?N hydrogen bond.

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Project description:In the title compound, C(8)H(8)N(4)S, the planar triazole ring forms a dihedral angle of 13.7?(2)° with the phenyl ring. The crystal structure is stabilized by inter-molecular N-H?S hydrogen-bond inter-actions, linking the mol-ecules into chains along the a axis.

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Project description:In the title compound, [Zn(2)I(4)(C(4)H(8)N(4))(2)], the Zn(II) atom is coordinated in a distorted tetra-hedral geometry by two N atoms from the triazole rings of two 4-amino-3,5-dimethyl-4H-1,2,4-triazole (admt) ligands and two iodide ligands. Doubly bridging admt ligands connect two Zn(II) atoms, forming a centrosymmetric dimer. Weak N-H?I and C-H?I hydrogen bonds play an important role in the inter-molecular packing.

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Bis[μ-4-amino-3,5-bis-(hydroxy-meth-yl)-1,2,4-triazole]bis{bis-[4-amino-3,5-bis-(hydroxy-meth-yl)-1,2,4-triazole]nickel(II)} tetra-nitrate methanol disolvate.

Project description:The title complex, [Ni(2)(C(4)H(8)N(4)O(2))(6)](NO(3))(4)·2CH(4)O, contains a centrosymmetric binuclear nickel(II) complex bridged by a pair of 4-amino-3,5-bis-(hydroxy-meth-yl)-1,2,4-triazole ligands. The separation between the Ni(II) atoms is 3.962 (1) Å. The Ni atoms are in a slightly distorted octa-hedral coordination. Inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds connect the ligands, solvent mol-ecules and nitrate ions.

| S-EPMC2914969 | biostudies-literature

Bi- and trinuclear copper(I) complexes of 1,2,3-triazole-tethered NHC ligands: synthesis, structure, and catalytic properties.

Project description:A series of copper complexes (3-6) stabilized by 1,2,3-triazole-tethered N-heterocyclic carbene ligands have been prepared via simple reaction of imidazolium salts with copper powder in good yields. The structures of bi- and trinuclear copper complexes were fully characterized by NMR, elemental analysis (EA), and X-ray crystallography. In particular, [Cu2(L2)2](PF6)2 (3) and [Cu2(L3)2](PF6)2 (4) were dinuclear copper complexes. Complexes [Cu3(L4)2](PF6)3 (5) and [Cu3(L5)2](PF6)3 (6) consist of a triangular Cu3 core. These structures vary depending on the imidazolium backbone and N substituents. The copper-NHC complexes tested are highly active for the Cu-catalyzed azide-alkyne cycloaddition (CuAAC) reaction in an air atmosphere at room temperature in a CH3CN solution. Complex 4 is the most efficient catalyst among these polynuclear complexes in an air atmosphere at room temperature.

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