Structures of Energetic Acetylene Derivatives HC≡CCH 2 ONO 2 , (NO 2 ) 3 CCH 2 C≡CCH 2 C(NO 2 ) 3 and Trinitroethane, (NO 2 ) 3 CCH 3

The molecular structures and relative ratios of the two conformers (anti and gauche) of HCCCH 2 ONO 2 detected in the gas phase at room temperature have been determined by electron diffraction. The results are discussed on the basis of quantum chemical calculations. The molecular structures of (NO 2...

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Veröffentlicht in:Zeitschrift für Naturforschung. B, A journal of chemical sciences A journal of chemical sciences, 2013-06, Vol.68 (5-6), p.719-731
Hauptverfasser: Klapötke, Thomas M., Krumm, Burkhard, Moll, Richard, Penger, Alexander, Sproll, Stefan M., Berger, Raphael J. F., Hayes, Stuart A., Mitzel, Norbert W.
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Sprache:eng
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Zusammenfassung:The molecular structures and relative ratios of the two conformers (anti and gauche) of HCCCH 2 ONO 2 detected in the gas phase at room temperature have been determined by electron diffraction. The results are discussed on the basis of quantum chemical calculations. The molecular structures of (NO 2 ) 3 CCH 2 C≡CCH 2 C(NO 2 ) 3 and (NO 2 ) 3 CCH 3 have been determined by X-ray diffraction. A 109 Ag NMR study was performed for silver trinitromethanide Ag[C(NO 2 ) 3 ] in various polar solvents. Structures of Energetic Acetylene Derivatives HC≡CCH 2 ONO 2 , (NO 2 ) 3 CCH 2 C≡CCH 2 C(NO 2 ) 3 and Trinitroethane, (NO 2 ) 3 CCH 3
ISSN:0932-0776
1865-7117
DOI:10.5560/znb.2013-2311