%0 Generic
%A Göbel, Michael
%A Karaghiosoff, Konstantin
%A Klapötke, Thomas M.
%A Piercey, Davin G.
%A Stierstorfer, Jörg
%D 2010
%T Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction
%U https://acs.figshare.com/articles/dataset/Nitrotetrazolate_2_i_N_i_oxides_and_the_Strategy_of_i_N_i_Oxide_Introduction/2706451
%R 10.1021/ja106892a.s006
%2 https://acs.figshare.com/ndownloader/files/4382398
%K EXPLO 5 computer code
%K nitrotetrazole
%K nitrotetrazolate
%K CBS
%X The first anionic tetrazole-2N-oxide has been prepared by mild aqueous oxidation of easily prepared 5-nitrotetrazole with commercially available oxone in high yields. The result of protonating 5-nitrotetrazolate-2N-oxide has been identified as a hydroxytetrazole, and the nitrogen-rich salts including ammonium, hydroxylammonium, guanidinium, aminoguanidinum, diaminoguanidinium, and triaminoguanidinium have been prepared and characterized. When compared to the nitrogen-rich salts of nitrotetrazole, the nitrogen-rich salts of nitrotetrazole-2N-oxide show superior energetic performance as calculated by the EXPLO5 computer code, using heats of formation calculated using the CBS-4M level of quantum mechanical theory. The impact, friction, and electrical spark sensitivities of the nitrogen-rich nitrotetrazolate-2N-oxides were measured and cover the whole range from sensitive to insensitive energetic materials.
%I ACS Publications