Z. Naturforsch. 2013, 68b, 719 – 731
Structures of Energetic Acetylene Derivatives HC≡CCH2ONO2, (NO2)3CCH2C≡CCH2C(NO2)3 and Trinitroethane, (NO2)3CCH3
Thomas M. Klapötke1, Burkhard Krumm1, Richard Moll1, Alexander Penger1, Stefan M. Sproll1, Raphael J. F. Berger2, Stuart A. Hayes2, and Norbert W. Mitzel2
1 Department of Chemistry, Ludwig-Maximilian University of Munich, Butenandtstraße 5–13 (D), 81377 Munich, Germany
2 Inorganic and Structural Chemistry, Bielefeld University, Universitätsstraße 25, 33615 Bielefeld, Germany
Reprint requests to Prof. Dr. Thomas M. Klapötke. Fax: +49-89-2180-77492. E-mail: tmk@cup.uni-muenchen.de
Received November 27, 2012 / published online Juli 2, 2013
Dedicated to Professor Heinrich Nöth on the occasion of his 85th birthday
The molecular structures and relative ratios of the two conformers (anti and gauche) of HCCCH2ONO2 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 (NO2)3CCH2C≡CCH2C(NO2)3 and (NO2)3CCH3 have been determined by X-ray diffraction. A 109Ag NMR study was performed for silver trinitromethanide Ag[C(NO2)3] in various polar solvents.
Key words: Gas-phase Electron Diffraction, X-Ray Diffraction, High Energy Dense Oxidizer, Trinitromethyl, Silver NMR
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