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Title: Synthesis, crystal structure and properties of a novel tetra-nuclear Cu complex of ANPyO

Abstract

A transition metal Cu complex with 2,6-diamino-3,5-dinitropyridine-N-oxide (ANPyO) ligand has been synthesized and its crystal structure has been analyzed by X-ray diffraction methods. The crystal belongs to Triclinic system with space group P-1. The cell parameters are a=8.6710(17) nm, b=11.226(2) nm, c=18.741(4) nm, {alpha}=98.26(3), {beta}=102.60(3), {gamma}=109.17(3), V=1635.1(6) nm{sup 3}, D{sub c}=1.957 g/cm{sup 3}, {mu}=2.663 mm{sup -1}, F(000)=968, Z=2, R{sub 1}=0.0764, WR{sub 2}=0.1608. The thermal decomposition process of the title complex was studied by means of the TG-DTG and DSC at a heating rate of 20 K/min. It consists of two slow endothermic peaks and one violent exothermic peak with 37.22% residues. The apparent activation energy and pre-exponential factor of the complex in thermal decomposition process were calculated by means of the Kissinger method and Ozawa-Doyle method. The thermal decomposition of AP was accelerated due to the catalyst of the complex, it suggests that the complex can provide theoretical support to further performance study as it is added to the propellant formulations to regulate the burning rate. - Graphical abstract: A novel tetra-nuclear Cu complex of ANPyO was synthesized and its molecular structure was measured. Highlights: Black-Right-Pointing-Pointer We have synthesized and characterized a new tetra-nuclear Cu complex. Black-Right-Pointing-Pointer We have measuredmore » its molecular structure and thermal decomposition. Black-Right-Pointing-Pointer A special coordination mode between ligand and central copper atoms has been obtained. Black-Right-Pointing-Pointer It provides theoretical support to further performance study as energetic catalyst.« less

Authors:
 [1];  [1]
  1. School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China)
Publication Date:
OSTI Identifier:
22131177
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 197; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ACTIVATION ENERGY; CALORIMETRY; CATALYSTS; COPPER; COPPER COMPLEXES; CRYSTAL STRUCTURE; CRYSTALS; LIGANDS; MOLECULAR STRUCTURE; OXIDES; PEAKS; PYROLYSIS; RESIDUES; SPACE GROUPS; SUPPORTS; SYNTHESIS; X-RAY DIFFRACTION

Citation Formats

Jinjian, Liu, Liu Zuliang, E-mail: liuzl@mail.njust.edu.cn, and Jian, Cheng. Synthesis, crystal structure and properties of a novel tetra-nuclear Cu complex of ANPyO. United States: N. p., 2013. Web. doi:10.1016/J.JSSC.2012.08.007.
Jinjian, Liu, Liu Zuliang, E-mail: liuzl@mail.njust.edu.cn, & Jian, Cheng. Synthesis, crystal structure and properties of a novel tetra-nuclear Cu complex of ANPyO. United States. https://doi.org/10.1016/J.JSSC.2012.08.007
Jinjian, Liu, Liu Zuliang, E-mail: liuzl@mail.njust.edu.cn, and Jian, Cheng. 2013. "Synthesis, crystal structure and properties of a novel tetra-nuclear Cu complex of ANPyO". United States. https://doi.org/10.1016/J.JSSC.2012.08.007.
@article{osti_22131177,
title = {Synthesis, crystal structure and properties of a novel tetra-nuclear Cu complex of ANPyO},
author = {Jinjian, Liu and Liu Zuliang, E-mail: liuzl@mail.njust.edu.cn and Jian, Cheng},
abstractNote = {A transition metal Cu complex with 2,6-diamino-3,5-dinitropyridine-N-oxide (ANPyO) ligand has been synthesized and its crystal structure has been analyzed by X-ray diffraction methods. The crystal belongs to Triclinic system with space group P-1. The cell parameters are a=8.6710(17) nm, b=11.226(2) nm, c=18.741(4) nm, {alpha}=98.26(3), {beta}=102.60(3), {gamma}=109.17(3), V=1635.1(6) nm{sup 3}, D{sub c}=1.957 g/cm{sup 3}, {mu}=2.663 mm{sup -1}, F(000)=968, Z=2, R{sub 1}=0.0764, WR{sub 2}=0.1608. The thermal decomposition process of the title complex was studied by means of the TG-DTG and DSC at a heating rate of 20 K/min. It consists of two slow endothermic peaks and one violent exothermic peak with 37.22% residues. The apparent activation energy and pre-exponential factor of the complex in thermal decomposition process were calculated by means of the Kissinger method and Ozawa-Doyle method. The thermal decomposition of AP was accelerated due to the catalyst of the complex, it suggests that the complex can provide theoretical support to further performance study as it is added to the propellant formulations to regulate the burning rate. - Graphical abstract: A novel tetra-nuclear Cu complex of ANPyO was synthesized and its molecular structure was measured. Highlights: Black-Right-Pointing-Pointer We have synthesized and characterized a new tetra-nuclear Cu complex. Black-Right-Pointing-Pointer We have measured its molecular structure and thermal decomposition. Black-Right-Pointing-Pointer A special coordination mode between ligand and central copper atoms has been obtained. Black-Right-Pointing-Pointer It provides theoretical support to further performance study as energetic catalyst.},
doi = {10.1016/J.JSSC.2012.08.007},
url = {https://www.osti.gov/biblio/22131177}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 197,
place = {United States},
year = {Tue Jan 15 00:00:00 EST 2013},
month = {Tue Jan 15 00:00:00 EST 2013}
}