Energetic Multifunctionalized Nitraminopyrazoles and Their Ionic Derivatives: Ternary Hydrogen-Bond Induced High Energy Density Materials.
Diverse functionalization was introduced into the pyrazole framework giving rise to a new family of ternary hydrogen-bond induced high energy density materials. By incorporating extended cationic interactions, nitramine-based ionic derivatives exhibit good energetic performance and enhanced molecula...
| Publicado en: | Journal of the American Chemical Society Vol. 137; no. 14; pp. 4778 - 4787 |
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| Autores principales: | , , |
| Formato: | Artículo |
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American Chemical Society
4/15/2015
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=102475155&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 102475155 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 4/15/2015 vid: 137 iid: 14 pid: 997 pub: American Chemical Society artinfo: ui: 102475155 10.1021/jacs.5b00714 ppf: 4778 ppct: 9 formats: tig: atl: Energetic Multifunctionalized Nitraminopyrazoles and Their Ionic Derivatives: Ternary Hydrogen-Bond Induced High Energy Density Materials. aug: au: Ping Yin Parrish, Damon A. Shreeve, Jean'ne M. affil: Department of Chemistry, University of Idaho, Moscow, Idaho 83844-2343, United States Naval Research Laboratory, Code 6030, Washington, D.C. 20375-5001, United States su: Hydrogen bonding Energy density Ionic crystals Molecules Gaussian function sug: subj: Hydrogen bonding Energy density Ionic crystals Molecules Gaussian function ab: Diverse functionalization was introduced into the pyrazole framework giving rise to a new family of ternary hydrogen-bond induced high energy density materials. By incorporating extended cationic interactions, nitramine-based ionic derivatives exhibit good energetic performance and enhanced molecular stability. Performance parameters including heats of formation and detonation properties were calculated by using Gaussian 03 and EXPLOS v6.01 programs, respectively. It is noteworthy to find that 5-nitramino-3,4- dinitropyrazole, 4, has a remarkable measured density of 1.97 g cm at 298 K, which is consistent with its crystal density (2.032 g cm, 150 K), and ranks highest among azole-based CHNO compounds. Energetic evaluation indicates that, in addition to the molecular compound 4, some ionic derivatives, 9, 11, 12, 17, 19, and 22, also have high densities (1.83-1.97 g cm), excellent detonation pressures and velocities (P, 35.6-41.6 GPa; v, 8880-9430 m s), as well as acceptable impact and friction sensitivities (IS, 4-30 J; FS, 40-240 N). These attractive features highlight the application potential of nitramino hydrogenbonded interactions in the design of advanced energetic material pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2015 holdings: @attributes: islocal: N |
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