Cargando…
Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole
We report the preparation, analysis, and phase transformation behavior of polymorphs of 3-nitro-1,2,4-triazole. The compound crystallizes in two different polymorphic forms, Form I (tetragonal, P4(1)2(1)2) and Form II (monoclinic, P2(1)/c). Analysis of the polymorphs has been investigated using micr...
Autores principales: | , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2018
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9082135/ https://www.ncbi.nlm.nih.gov/pubmed/35539157 http://dx.doi.org/10.1039/c8ra04116d |
_version_ | 1784703142403768320 |
---|---|
author | Zhang, Pengcheng Zhao, Xiuxiu Du, Yao Gozin, Michael Li, Shenghua Pang, Siping |
author_facet | Zhang, Pengcheng Zhao, Xiuxiu Du, Yao Gozin, Michael Li, Shenghua Pang, Siping |
author_sort | Zhang, Pengcheng |
collection | PubMed |
description | We report the preparation, analysis, and phase transformation behavior of polymorphs of 3-nitro-1,2,4-triazole. The compound crystallizes in two different polymorphic forms, Form I (tetragonal, P4(1)2(1)2) and Form II (monoclinic, P2(1)/c). Analysis of the polymorphs has been investigated using microscopy, differential scanning calorimetry, in situ variable-temperature powder X-ray diffraction, and single-crystal X-ray diffraction. On heating, Form II converts into Form I irreversibly, and on further heating, decomposition is observed. In situ powder X-ray diffraction studies revealed that Form II transforms to Form I above 98 °C, indicating that Form I is more stable than Form II at high temperature. Form II of 3-nitro-1,2,4-triazole has good detonation properties (V(det) = 8213 m s(−1), P(C–J) = 27.45 GPa), and low sensitivity (IS > 40 J, FS = 360 N, ESD = 29 J), which make it a competitive candidate for use as a new insensitive explosive. |
format | Online Article Text |
id | pubmed-9082135 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-90821352022-05-09 Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole Zhang, Pengcheng Zhao, Xiuxiu Du, Yao Gozin, Michael Li, Shenghua Pang, Siping RSC Adv Chemistry We report the preparation, analysis, and phase transformation behavior of polymorphs of 3-nitro-1,2,4-triazole. The compound crystallizes in two different polymorphic forms, Form I (tetragonal, P4(1)2(1)2) and Form II (monoclinic, P2(1)/c). Analysis of the polymorphs has been investigated using microscopy, differential scanning calorimetry, in situ variable-temperature powder X-ray diffraction, and single-crystal X-ray diffraction. On heating, Form II converts into Form I irreversibly, and on further heating, decomposition is observed. In situ powder X-ray diffraction studies revealed that Form II transforms to Form I above 98 °C, indicating that Form I is more stable than Form II at high temperature. Form II of 3-nitro-1,2,4-triazole has good detonation properties (V(det) = 8213 m s(−1), P(C–J) = 27.45 GPa), and low sensitivity (IS > 40 J, FS = 360 N, ESD = 29 J), which make it a competitive candidate for use as a new insensitive explosive. The Royal Society of Chemistry 2018-07-10 /pmc/articles/PMC9082135/ /pubmed/35539157 http://dx.doi.org/10.1039/c8ra04116d Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/ |
spellingShingle | Chemistry Zhang, Pengcheng Zhao, Xiuxiu Du, Yao Gozin, Michael Li, Shenghua Pang, Siping Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole |
title | Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole |
title_full | Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole |
title_fullStr | Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole |
title_full_unstemmed | Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole |
title_short | Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole |
title_sort | polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9082135/ https://www.ncbi.nlm.nih.gov/pubmed/35539157 http://dx.doi.org/10.1039/c8ra04116d |
work_keys_str_mv | AT zhangpengcheng polymorphismphasetransformationandenergeticpropertiesof3nitro124triazole AT zhaoxiuxiu polymorphismphasetransformationandenergeticpropertiesof3nitro124triazole AT duyao polymorphismphasetransformationandenergeticpropertiesof3nitro124triazole AT gozinmichael polymorphismphasetransformationandenergeticpropertiesof3nitro124triazole AT lishenghua polymorphismphasetransformationandenergeticpropertiesof3nitro124triazole AT pangsiping polymorphismphasetransformationandenergeticpropertiesof3nitro124triazole |