Benzimidazole Derivatives as Energetic Materials. Theoretical Study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21110%2F21%3A00350624" target="_blank" >RIV/68407700:21110/21:00350624 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.3390/ma14154112" target="_blank" >https://doi.org/10.3390/ma14154112</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/ma14154112" target="_blank" >10.3390/ma14154112</a>
Alternative languages
Result language
angličtina
Original language name
Benzimidazole Derivatives as Energetic Materials. Theoretical Study
Original language description
Explosive properties and stability of benzimidazole compounds are studied to investigate the influence of substituents and their position. The results obtained have revealed the conjugation of substituents as one of the crucial factors for the thermal stability of these compounds. We also found that two –CH3 substituents increase the thermal stability of the parent compound, while nitro groups decrease it. Moreover, the study clearly exhibits that combination -NO2 substituent with –CH3 doesn’t change the stability of the benzimidazole. On the other hand, nitro groups increase the chemical stability and explosive properties of the compounds under investigation, but their sensitivity could not fully satisfy the requirements of their safety and increase their toxicity. The main results of the study indicate that the high thermal and chemical stability, low toxicity and sensitivity, and good explosive properties would be achieved by precisely combined nitro, -CH3, and triazole ring substituents. These findings are very important for the design of the new effective and non-sensitive explosives. Keywords
Czech name
—
Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
20703 - Mining and mineral processing
Result continuities
Project
<a href="/en/project/EF18_053%2F0016980" target="_blank" >EF18_053/0016980: Mobility CTU - STA</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Materials
ISSN
1996-1944
e-ISSN
1996-1944
Volume of the periodical
14
Issue of the periodical within the volume
15
Country of publishing house
CH - SWITZERLAND
Number of pages
15
Pages from-to
109-123
UT code for WoS article
000682029600001
EID of the result in the Scopus database
2-s2.0-85111624847