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Stabilization of hexazine rings in potassium polynitride at high pressure

文献类型：期刊论文

作者Wang, Yu6; Bykov, Maxim4,5; Chepkasov, Ilya3; Samtsevich, Artem3; Bykova, Elena5; Zhang, Xiao6; Jiang, Shu-qing6; Greenberg, Eran1,2; Chariton, Stella2; Prakapenka, Vitali B.2
刊名NATURE CHEMISTRY
出版日期2022-04-21
ISSN号1755-4330
DOI10.1038/s41557-022-00925-0
通讯作者Goncharov, Alexander F.(agoncharov@carnegiescience.edu)
英文摘要Polynitrogen molecules are attractive for high-energy-density materials due to energy stored in nitrogen-nitrogen bonds; however, it remains challenging to find energy-efficient synthetic routes and stabilization mechanisms for these compounds. Direct synthesis from molecular dinitrogen requires overcoming large activation barriers and the reaction products are prone to inherent inhomogeneity. Here we report the synthesis of planar N-6(2-) hexazine dianions, stabilized in K2N6, from potassium azide (KN3) on laser heating in a diamond anvil cell at pressures above 45 GPa. The resulting K2N6, which exhibits a metallic lustre, remains metastable down to 20 GPa. Synchrotron X-ray diffraction and Raman spectroscopy were used to identify this material, through good agreement with the theoretically predicted structural, vibrational and electronic properties for K2N6. The N-6(2)-rings characterized here are likely to be present in other high-energy-density materials stabilized by pressure. Under 30 GPa, an unusual N-2(0.75-)-containing compound with the formula K-3(N-2)(4) was formed instead.
WOS关键词X-RAY-DIFFRACTION ; CRYSTAL-STRUCTURE PREDICTION ; INITIO MOLECULAR-DYNAMICS ; ELASTIC BAND METHOD ; STRUCTURAL DIVERSITY ; PENTAZOLATE ANION ; N-6 RING ; NITROGEN ; CYCLO-N-5(-) ; CHEMISTRY
资助项目National Natural Science Foundation of China[11504382] ; National Natural Science Foundation of China[21473211] ; National Natural Science Foundation of China[11674330] ; National Natural Science Foundation of China[51672279] ; National Natural Science Foundation of China[11874361] ; National Natural Science Foundation of China[11774354] ; National Natural Science Foundation of China[51727806] ; CASHIPS Director's Fund[YZJJ201705] ; Chinese Academy of Science[YZ201524] ; Chinese Academy of Science[YZJJ2020QN22] ; Science Challenge Project[TZ201601] ; Army Research Office[W911NF-19-2-0172] ; Russian Science Foundation[19-72-30043] ; National Science Foundation-Earth Sciences[EAR-1634415] ; NSF MRI Proposal[EAR-1531583] ; DOE Office of Science[DE-AC02-06CH11357]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000784692200002
出版者NATURE PORTFOLIO
资助机构National Natural Science Foundation of China ; CASHIPS Director's Fund ; Chinese Academy of Science ; Science Challenge Project ; Army Research Office ; Russian Science Foundation ; National Science Foundation-Earth Sciences ; NSF MRI Proposal ; DOE Office of Science
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/128495]  
专题中国科学院合肥物质科学研究院
通讯作者Goncharov, Alexander F.
作者单位1.Appl Phys Div SNRC, Yavne, Israel
2.Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA
3.Skolkovo Inst Sci & Technol, Skolkovo Innovat Ctr, Moscow, Russia
4.Howard Univ, Dept Math, Washington, DC 20059 USA
5.Carnegie Inst Sci, Earth & Planets Lab, Washington, DC 20015 USA
6.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei, Peoples R China
推荐引用方式
GB/T 7714		 Wang, Yu,Bykov, Maxim,Chepkasov, Ilya,et al. Stabilization of hexazine rings in potassium polynitride at high pressure[J]. NATURE CHEMISTRY,2022.
APA Wang, Yu.,Bykov, Maxim.,Chepkasov, Ilya.,Samtsevich, Artem.,Bykova, Elena.,...&Goncharov, Alexander F..(2022).Stabilization of hexazine rings in potassium polynitride at high pressure.NATURE CHEMISTRY.
MLA Wang, Yu,et al."Stabilization of hexazine rings in potassium polynitride at high pressure".NATURE CHEMISTRY (2022).

入库方式： OAI收割

来源：合肥物质科学研究院

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