Effect of multiple oxadiazole rings with nitro and nitramino functionalities on energetic properties: computational analysis of the structure–property relationship DOI
Anjali Maan, Ramling S. Mathpati, Vikas D. Ghule

и другие.

New Journal of Chemistry, Год журнала: 2021, Номер 45(16), С. 7368 - 7376

Опубликована: Янв. 1, 2021

The oxadiazole ring is an essential nitrogen-containing heterocycle and a valuable building block that used in developing numerous functionalized energetic compounds.

Язык: Английский

Functionalization of fused imidazole-oxadiazole, triazole-oxadiazole and tetrazole-oxadiazole skeletons: Search for stable and potential energetic materials DOI

Rimpi Devi,

Anjali Maan, Vikas D. Ghule

и другие.

Computational and Theoretical Chemistry, Год журнала: 2023, Номер 1229, С. 114352 - 114352

Опубликована: Окт. 6, 2023

Язык: Английский

Процитировано

5
Obtaining advanced insensitive energetic materials by regioselectively introducing N-oxide groups onto 6-trifluoromethyl-1,2,4,5-tetrazine-3-amine DOI Creative Commons
Qiangqiang Liu, Han Wang,

Yunjie Kang

и другие.

Energetic Materials Frontiers, Год журнала: 2022, Номер 4(1), С. 30 - 36

Опубликована: Дек. 31, 2022

Three N-oxide energetic compounds were selectively obtained from 6-trifluoromethyl-1,2,4,5-tetrazin-3-amine using four kinds of oxidation systems. Their structures verified through 1H NMR, 13C IR, single-crystal X-ray diffraction, and elemental analysis, their thermal properties studied differential scanning calorimetry (DSC) thermogravimetric analysis (TGA). Moreover, heats formation detonation the Gaussian 09 EXPLO5 v6.01 programs, respectively. Among them, compound 5 had excellent mechanical sensitivities (IS ​> ​60 ​J, FS ​360 ​N) high performance (vD ​= ​7351 ​m ​s−1, p ​23.9 ​GPa), which comparable to those TNT. Compound 7 was more sensitive ​27 than 5, isomer 7. The mechanism for regioselectively introducing deeply investigated natural bond orbital (NBO) charge analysis. Furthermore, relationships between sites N-oxides Hirschfeld surfaces, electrostatic potential, 2D fingerprint plots, This study can be used as a reference development next generation N-oxide-containing explosives.

Язык: Английский

Процитировано

8
Highly energetic salts based on the planar 3,6-dinitramino[1,2,4]triazolo[4,3-b][1,2,4]triazole DOI
Chengming Bian, Ji Zhang, Jianfu Ma

и другие.

Journal of Molecular Structure, Год журнала: 2022, Номер 1263, С. 133136 - 133136

Опубликована: Апрель 22, 2022

Язык: Английский

Процитировано

7
Enhancing the detonation performance of azobis-triazole energetic derivatives via inducing the N-oxide groups DOI
Nan Li, Xinbo Yang, Xiu-Yuan Li

и другие.

Physical Chemistry Chemical Physics, Год журнала: 2024, Номер 26(29), С. 19863 - 19875

Опубликована: Янв. 1, 2024

The

Язык: Английский

Процитировано

1
Effect of multiple oxadiazole rings with nitro and nitramino functionalities on energetic properties: computational analysis of the structure–property relationship DOI
Anjali Maan, Ramling S. Mathpati, Vikas D. Ghule

и другие.

New Journal of Chemistry, Год журнала: 2021, Номер 45(16), С. 7368 - 7376

Опубликована: Янв. 1, 2021

The oxadiazole ring is an essential nitrogen-containing heterocycle and a valuable building block that used in developing numerous functionalized energetic compounds.

Язык: Английский

Процитировано

8