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Zeitschrift für Naturforschung B

A Journal of Chemical Sciences

12 Issues per year


IMPACT FACTOR 2017: 0.757

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1865-7117
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Volume 71, Issue 3

Issues

Preparation, crystal structure, thermal behavior, and theoretical studies of N,N′-dinitro-4, 4′-azo-bis(1,2,4-triazolone) (DNZTO)

Jiaping Zhu
  • School of Materials Science and Engineering, Beijing Institute of Technology, 100081 Beijing, P.R. China
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/ Shaohua Jin
  • School of Materials Science and Engineering, Beijing Institute of Technology, 100081 Beijing, P.R. China
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/ Yuehai Yu
  • School of Materials Science and Engineering, Beijing Institute of Technology, 100081 Beijing, P.R. China
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/ Li Wan
  • School of Materials Science and Engineering, Beijing Institute of Technology, 100081 Beijing, P.R. China
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/ Lijie Li
  • School of Materials Science and Engineering, Beijing Institute of Technology, 100081 Beijing, P.R. China
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/ Shusen Chen
  • School of Materials Science and Engineering, Beijing Institute of Technology, 100081 Beijing, P.R. China
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/ Qinghai Shu
  • Corresponding author
  • School of Materials Science and Engineering, Beijing Institute of Technology, 100081 Beijing, P.R. China
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Published Online: 2016-02-27 | DOI: https://doi.org/10.1515/znb-2015-0121

Abstract

N,N′-Dinitro-4,4′-azo-bis(1,2,4-triazolone) (DNZTO) is synthesized by the reaction of 4,4′-azo-bistriazolone (ZTO) with a mixture of nitric acid and acetic anhydride. The product was fully characterized by IR, NMR, matrix-assisted laser desorption/ionization with time-of-flight mass spectrometry, and single-crystal X-ray analysis. The explosive performance including detonation pressures (P), velocities (D) of DNZTO, and heats of formation were predicted using gaussian 09 at B3LYP/6-311+G**.

Keywords: crystal structure; DNZTO; theoretical studies; thermal behavior

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About the article

Corresponding author: Qinghai Shu, School of Materials Science and Engineering, Beijing Institute of Technology, 100081 Beijing, P.R. China, e-mail:


Received: 2015-07-16

Accepted: 2015-09-10

Published Online: 2016-02-27

Published in Print: 2016-03-01


Citation Information: Zeitschrift für Naturforschung B, Volume 71, Issue 3, Pages 197–204, ISSN (Online) 1865-7117, ISSN (Print) 0932-0776, DOI: https://doi.org/10.1515/znb-2015-0121.

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