Benzimidazole Derivatives as Energetic Materials. Theoretical Study

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Benzimidazole Derivatives as Energetic Materials. Theoretical Study

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

Benzimidazole Derivatives as Energetic Materials. Theoretical Study

Popis výsledku anglicky

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

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20703 - Mining and mineral processing

Projekt

<a href="/cs/project/EF18_053%2F0016980" target="_blank" >EF18_053/0016980: Mobilita ČVUT - VTA</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Materials

ISSN

1996-1944

e-ISSN

1996-1944

Svazek periodika

14

Číslo periodika v rámci svazku

15

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

15

Strana od-do

109-123

Kód UT WoS článku

000682029600001

EID výsledku v databázi Scopus

2-s2.0-85111624847