Faculty Publications

Characterization of Non-Cage Structural Analogs of Octanitrocubane and CL-20

Document Type

Conference

Journal/Book/Conference Title

Abstracts of Papers of the American Chemical Society

Volume

247

Abstract

Experimental and computed physical, thermochemical and detonation properties of octanitrocubane and CL-20 (a.k.a., 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaiso-wurtzitane, HNIW, or 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo [5.5.0.03,11.05,9]dodecane) were compared with computed properties of two theoretical non-cage structural analogs, 1,2,3,4,5,6,7,8-octanitroladderane (ONL or 1,2,3,4,5,6,7,8-octanitrotricyclo[4.2.0.02,5]octane) and 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaaza-tricyclo[7.3.0.03,7]dodecane (HHD), respectively. Although the non-cage structural analogs are less highly strained than their cage compound counterparts, they are predicted to have the capacity to produce greater volumes of explosive gases due to the presence of more hydrogen in their structures. Power Index is dependent on the heat of explosion and the volume of explosive gases produced. The Power Indices of ONL and HND are slightly greater than those of ONC and CL-20, respectively, suggesting that both of these theoretical compounds would be good target compounds for synthesis and development as high explosives. Like ONC and CL-20, both of the non-cage analogs have computed characteristics typical of high energy density materials (HEDMs).

Department

Department of Chemistry and Biochemistry

Original Publication Date

3-16-2014

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