Synthesis, Characterization, and Properties of Pentanitrobenzene C6H(NO2)(5)

Huber, Tanja; Heide von der, Chantal; Klapoetke, Thomas M. und Krumm, Burkhard (2019): Synthesis, Characterization, and Properties of Pentanitrobenzene C6H(NO2)(5). In: Zeitschrift für Anorganische und Allgemeine Chemie, Bd. 645, Nr. 2: S. 126-132

Abstract

The synthesis of the polynitroaromatic compound pentanitrobenzene was re-examined by modern spectroscopic, structural and physicochemical methods. Originally prepared in 1979, this material could exhibit interesting properties as an oxygen-rich energetic building block. The energies of formation were calculated with the GAUSSIAN program package and the detonation parameters were predicted using the EXPLO5 computer code. The performance data were determined and compared to the common oxidizer ammonium perchlorate. The crystal structure of pentanitrobenzene was determined by X-ray crystallography, and those of 2,3,4,6-tetranitroaniline and styphnic acid (trinitroresorcinol) were re-determined.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Chemie und Pharmazie > Department Chemie
• Themengebiete: 500 Naturwissenschaften und Mathematik > 540 Chemie
• ISSN: 0044-2313
• Sprache: Englisch