TY - JOUR
T1 - Finding furoxan rings
AU - Yu, Qiong
AU - Chinnam, Ajay Kumar
AU - Yin, Ping
AU - Imler, Gregory H.
AU - Parrish, Damon A.
AU - Shreeve, Jean'ne M.
N1 - Publisher Copyright:
This journal is © The Royal Society of Chemistry.
PY - 2020/3/28
Y1 - 2020/3/28
N2 - A furoxan ring is derived from a dinitromethyl group. A plausible mechanism is proposed based on 1H, 13C and 15N NMR spectral analysis where a dinitromethyl group releases one molecule of nitric acid to form an unstable nitrile oxide and its dipole isomer which cyclize to a furoxan ring [3,4-bis(4-nitro-1,2,5-oxadizaol-3-yl)-1,2,5-oxadiazole-N-oxide (5)]. This new method of constructing a furoxan (1,2,5-oxadiazole 2-oxide) ring offers a potentially efficient way to obtain excellent energetic materials. In order to stabilize the dinitromethyl-containing precursor [3-(dinitromethyl)-4-nitro-1,2,5-oxadiazole (4)], a series of new energetic salts was synthesized and fully characterized. These materials exhibit high densities, excellent detonation properties and acceptable sensitivities. For example, the hydrazinium salt 9 has a high density of 1.92 g cm-3, a detonation velocity of 9437 m s-1 and a detonation pressure of 41.3 GPa, which approach those properties of CL-20 (ρ, 2.03 g cm-3; vD, 9406 m s-1; P, 44.6 GPa) and which are superior to those of HMX (ρ, 1.90 g cm-3; vD, 9320 m s-1; P, 39.2 GPa).
AB - A furoxan ring is derived from a dinitromethyl group. A plausible mechanism is proposed based on 1H, 13C and 15N NMR spectral analysis where a dinitromethyl group releases one molecule of nitric acid to form an unstable nitrile oxide and its dipole isomer which cyclize to a furoxan ring [3,4-bis(4-nitro-1,2,5-oxadizaol-3-yl)-1,2,5-oxadiazole-N-oxide (5)]. This new method of constructing a furoxan (1,2,5-oxadiazole 2-oxide) ring offers a potentially efficient way to obtain excellent energetic materials. In order to stabilize the dinitromethyl-containing precursor [3-(dinitromethyl)-4-nitro-1,2,5-oxadiazole (4)], a series of new energetic salts was synthesized and fully characterized. These materials exhibit high densities, excellent detonation properties and acceptable sensitivities. For example, the hydrazinium salt 9 has a high density of 1.92 g cm-3, a detonation velocity of 9437 m s-1 and a detonation pressure of 41.3 GPa, which approach those properties of CL-20 (ρ, 2.03 g cm-3; vD, 9406 m s-1; P, 44.6 GPa) and which are superior to those of HMX (ρ, 1.90 g cm-3; vD, 9320 m s-1; P, 39.2 GPa).
UR - http://www.scopus.com/inward/record.url?scp=85082706839&partnerID=8YFLogxK
U2 - 10.1039/d0ta01538e
DO - 10.1039/d0ta01538e
M3 - Article
AN - SCOPUS:85082706839
SN - 2050-7488
VL - 8
SP - 5859
EP - 5864
JO - Journal of Materials Chemistry A
JF - Journal of Materials Chemistry A
IS - 12
ER -