{"title":"Zwitterionic Energetic Compound Based on N-Acetamidinium Functionalized Nitroimino-tetrazole: Towards High-Performance and Stability.","authors":"Priyanka Das, Prachi Bhatia, Dheeraj Kumar","doi":"10.1002/asia.70359","DOIUrl":null,"url":null,"abstract":"<p><p>In this work, an advanced high-performing zwitterionic compound (E)-4-(2-amino-2-iminioethyl)-5-(nitroimino)-4,5-dihydrotetrazol-1-ide (3) was achieved, where negatively charged nitroimino-tetrazolate moiety is linked with positively charged acetamidinium group via N-functionalization technique. A comparative study was also carried out to justify the superlative properties of compound 3 (T<sub>d</sub> = 152 °C; ρ = 1.83 g cm<sup>-3</sup>; D<sub>v</sub> = 8823 m s<sup>-1</sup>) with respect to its salt analogue 5 (T<sub>d</sub> = 90 °C; ρ = 1.65 g cm<sup>-3</sup>; D<sub>v</sub> = 8183 m s<sup>-1</sup>), which exhibited adequate thermal stability and excellent energetic performances. Additionally, the zwitterionic structure of 3 was confirmed by single-crystal X-ray analysis and differences in overall stability was investigated using electrostatic potential (ESP) and reduced density gradient (RDG) analysis, relative to the neutral nitroimino-tetrazole (NATz).</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e70359"},"PeriodicalIF":3.3000,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry - An Asian Journal","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1002/asia.70359","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
In this work, an advanced high-performing zwitterionic compound (E)-4-(2-amino-2-iminioethyl)-5-(nitroimino)-4,5-dihydrotetrazol-1-ide (3) was achieved, where negatively charged nitroimino-tetrazolate moiety is linked with positively charged acetamidinium group via N-functionalization technique. A comparative study was also carried out to justify the superlative properties of compound 3 (Td = 152 °C; ρ = 1.83 g cm-3; Dv = 8823 m s-1) with respect to its salt analogue 5 (Td = 90 °C; ρ = 1.65 g cm-3; Dv = 8183 m s-1), which exhibited adequate thermal stability and excellent energetic performances. Additionally, the zwitterionic structure of 3 was confirmed by single-crystal X-ray analysis and differences in overall stability was investigated using electrostatic potential (ESP) and reduced density gradient (RDG) analysis, relative to the neutral nitroimino-tetrazole (NATz).
本研究通过n官能化技术将带负电荷的硝基四氮酸盐部分与带正电荷的乙酰脒基连接，合成了一种高性能的两性离子化合物(E)-4-（2-氨基-2-亚胺乙基）-5-（硝基亚胺）-4,5-二氢四氮唑-1-ide(3)。对化合物3 （Td = 152℃；ρ = 1.83 g cm-3; Dv = 8823 m s-1）与盐类似物5 （Td = 90℃；ρ = 1.65 g cm-3; Dv = 8183 m s-1）的性能进行了比较研究，证明化合物3具有足够的热稳定性和优异的能量性能。此外，通过单晶x射线分析确定了3的两性离子结构，并利用静电电位（ESP）和还原密度梯度（RDG）分析研究了3与中性硝基亚硝基四唑（NATz）的总体稳定性差异。
期刊介绍：
Chemistry—An Asian Journal is an international high-impact journal for chemistry in its broadest sense. The journal covers all aspects of chemistry from biochemistry through organic and inorganic chemistry to physical chemistry, including interdisciplinary topics.
Chemistry—An Asian Journal publishes Full Papers, Communications, and Focus Reviews.
A professional editorial team headed by Dr. Theresa Kueckmann and an Editorial Board (headed by Professor Susumu Kitagawa) ensure the highest quality of the peer-review process, the contents and the production of the journal.
Chemistry—An Asian Journal is published on behalf of the Asian Chemical Editorial Society (ACES), an association of numerous Asian chemical societies, and supported by the Gesellschaft Deutscher Chemiker (GDCh, German Chemical Society), ChemPubSoc Europe, and the Federation of Asian Chemical Societies (FACS).
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
