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. 1999 Jul 12;38(13-14):2004-2009.
doi: 10.1002/(SICI)1521-3773(19990712)38:13/14<2004::AID-ANIE2004>3.0.CO;2-7.

N5 +: A Novel Homoleptic Polynitrogen Ion as a High Energy Density Material

Karl O Christe  1 , William W Wilson  1 , Jeffrey A Sheehy  1 , Jerry A Boatz  1
Affiliations

N5 +: A Novel Homoleptic Polynitrogen Ion as a High Energy Density Material

Karl O Christe et al. Angew Chem Int Ed Engl. .

Abstract

Only the third known example of a homoleptic polynitrogen species besides N2 and N3 -, the N5 + ion possesses surprising stability and can be isolated on a macroscopic scale as its AsF6 - salt. The assigment of the C2v-symmetric structure (shown schematically) predicted by calculations was supported by IR and Raman as well as 14N and 15N NMR spectroscopic studies of the isotopically labeled product.

Keywords: Density functional calculations; Isotopic labeling; NMR spectroscopy; Nitrogen; Vibrational spectroscopy.

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