1,3,5,6,7-五硝基-3,6,7-三氮杂比环-[3.1.1]-庚烷（UIX）：一种具有零氧平衡的强电位炸药。

IF 3.3 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Chemistry - An Asian Journal Pub Date : 2025-05-14 DOI:10.1002/asia.202500290

Dr. Sohan Lal, Prof. Haixiang Gao, Prof. Jean'ne M. Shreeve

{"title":"1,3,5,6,7-五硝基-3,6,7-三氮杂比环-[3.1.1]-庚烷（UIX）：一种具有零氧平衡的强电位炸药。","authors":"Dr. Sohan Lal, Prof. Haixiang Gao, Prof. Jean'ne M. Shreeve","doi":"10.1002/asia.202500290","DOIUrl":null,"url":null,"abstract":"A novel cage nitramine, and potential explosive, 1,3,5,6,7-pentanitro-3,6,7-triazabicyclo-[3.1.1]-heptane (UIX) with a zero-oxygen balance was designed. It has a high crystal density (ρ = 1.978 g/cm3), and outstanding propulsive and detonation properties (Isp(s)neat = 269.61; ρIsp(g cm−3 s)neat = 533.29; P = 42.55 GPa, D = 9620 m/s), with good sensitivity (h50 = 9.06 cm) and promising kinetic stability as CL-20. Additionally, a synthesis route for UIX is proposed.","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"20 16","pages":""},"PeriodicalIF":3.3000,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Computational Access to 1,3,5,6,7-Pentanitro-3,6,7-Triazabicyclo-[3.1.1]-Heptane (UIX): A Powerful Potential Explosive with Zero Oxygen Balance\",\"authors\":\"Dr. Sohan Lal, Prof. Haixiang Gao, Prof. Jean'ne M. Shreeve\",\"doi\":\"10.1002/asia.202500290\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A novel cage nitramine, and potential explosive, 1,3,5,6,7-pentanitro-3,6,7-triazabicyclo-[3.1.1]-heptane (UIX) with a zero-oxygen balance was designed. It has a high crystal density (ρ = 1.978 g/cm3), and outstanding propulsive and detonation properties (Isp(s)neat = 269.61; ρIsp(g cm−3 s)neat = 533.29; P = 42.55 GPa, D = 9620 m/s), with good sensitivity (h50 = 9.06 cm) and promising kinetic stability as CL-20. Additionally, a synthesis route for UIX is proposed.\",\"PeriodicalId\":145,\"journal\":{\"name\":\"Chemistry - An Asian Journal\",\"volume\":\"20 16\",\"pages\":\"\"},\"PeriodicalIF\":3.3000,\"publicationDate\":\"2025-05-14\",\"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://aces.onlinelibrary.wiley.com/doi/10.1002/asia.202500290\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry - An Asian Journal","FirstCategoryId":"1","ListUrlMain":"https://aces.onlinelibrary.wiley.com/doi/10.1002/asia.202500290","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

摘要

设计了一种新型的笼式硝胺和潜在炸药1,3,5,6,7-戊硝基-3,6,7-三氮杂环-[3.1.1]-庚烷（UIX）。它具有较高的晶体密度（ρ = 1.978 g/cm3），优异的推进和爆轰性能(Isp(s)neat = 269.61；ρIsp(g cm- 3s)neat = 533.29；P = 42.55 GPa, D = 9620 m/s)，具有良好的灵敏度（h50 = 9.06 cm），作为CL-20具有良好的动力学稳定性。此外，还提出了UIX的合成路线。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Computational Access to 1,3,5,6,7-Pentanitro-3,6,7-Triazabicyclo-[3.1.1]-Heptane (UIX): A Powerful Potential Explosive with Zero Oxygen Balance

查看原文本刊更多论文

Computational Access to 1,3,5,6,7-Pentanitro-3,6,7-Triazabicyclo-[3.1.1]-Heptane (UIX): A Powerful Potential Explosive with Zero Oxygen Balance

A novel cage nitramine, and potential explosive, 1,3,5,6,7-pentanitro-3,6,7-triazabicyclo-[3.1.1]-heptane (UIX) with a zero-oxygen balance was designed. It has a high crystal density (ρ = 1.978 g/cm³), and outstanding propulsive and detonation properties (Isp(s)_neat = 269.61; ρIsp(g cm⁻³ s)_neat = 533.29; P = 42.55 GPa, D = 9620 m/s), with good sensitivity (h₅₀ = 9.06 cm) and promising kinetic stability as CL-20. Additionally, a synthesis route for UIX is proposed.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Chemistry - An Asian Journal 化学-化学综合

CiteScore

7.00

自引率

2.40%

发文量

535

审稿时长

1.3 months

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).