TY - JOUR
T1 - Design of Zero Oxygen Balance Energetic Materials on the Basis of Diels-Alder Chemistry
AU - Yang, Junqing
AU - Gong, Xuedong
AU - Mei, Haozheng
AU - Li, Tong
AU - Zhang, Jianguo
AU - Gozin, Michael
N1 - Publisher Copyright:
© 2018 American Chemical Society.
PY - 2018/12/7
Y1 - 2018/12/7
N2 - Herein, a novel zero oxygen balance polycyclic energetic compound trans-3,3,4,4,7,7,8,8-octanitro-9,10-dioxatricyclo[4.2.1.1 2,5 ]-decane (trans-BIT) was designed and expected to exhibit high crystal density (ρ = 2.06 g/cm 3 ), outstanding detonation performance (D = 9.473 km/s, P = 42.2 GPa), and promising thermostability and sensitivity. We proposed that the synthesis of this compound could be achieved via a facile Diels-Alder reaction, using tetranitroethylene and oxadiazole as starting materials. We also predicted that the crystal structure of trans-BIT would have P2 1 /C space group symmetry.
AB - Herein, a novel zero oxygen balance polycyclic energetic compound trans-3,3,4,4,7,7,8,8-octanitro-9,10-dioxatricyclo[4.2.1.1 2,5 ]-decane (trans-BIT) was designed and expected to exhibit high crystal density (ρ = 2.06 g/cm 3 ), outstanding detonation performance (D = 9.473 km/s, P = 42.2 GPa), and promising thermostability and sensitivity. We proposed that the synthesis of this compound could be achieved via a facile Diels-Alder reaction, using tetranitroethylene and oxadiazole as starting materials. We also predicted that the crystal structure of trans-BIT would have P2 1 /C space group symmetry.
UR - http://www.scopus.com/inward/record.url?scp=85058171826&partnerID=8YFLogxK
U2 - 10.1021/acs.joc.8b02000
DO - 10.1021/acs.joc.8b02000
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C2 - 30388371
AN - SCOPUS:85058171826
SN - 0022-3263
VL - 83
SP - 14698
EP - 14702
JO - Journal of Organic Chemistry
JF - Journal of Organic Chemistry
IS - 23
ER -