Accelerated discovery of thermostable high-energy materials with intramolecular donor–acceptor building blocks. Issue 28 (16th March 2022)

• Record Type: Journal Article
• Authors: Ma, Qing; Cheng, Zhen; Yang, Lei; Du, Wei; Yin, Yilin; Ma, Wenqiang; Fan, Guijuan; Li, Jinshan
• Is Part Of: Chemical communications. Volume 58:Issue 28(2022)
• Page Start: 4460
• Page End: 4463
• Publication Date: 2022-03-16
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/d2cc00074a
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : To accelerate the discovery of thermostable high-energy materials with intramolecular donor–acceptor building blocks, a simple and effective strategy was employed through assisted database search and facile synthesis. Abstract : A domain-related data search promoted triazolotriazine-fused energetic scaffold filtration with combinatorial design to alleviate the lack of thermostable high-energy materials; 16 candidates were discovered that may show promising energy and safety performance, as well as excellent thermal stability. Novel fused triazolo-1, 2, 4-triazine energetic material 7-nitro-3-(1 H -tetrazol-5-yl)-[1, 2, 4]triazolo[5, 1- c ][1, 2, 4]triazin-4-amine-2-oxide (Candidate No. 4) with excellent thermal stability, high energy performance and low sensitivity was developed successfully by using a facile N-oxide synthetic method. Our findings may be applicable to a wider range of materials and prove equally powerful for searching for other high-performing energetic materials.