Design of Zero Oxygen Balance Energetic Materials on the Basis of Diels-Alder Chemistry

Junqing Yang, Xuedong Gong, Haozheng Mei, Tong Li, Jianguo Zhang, Michael Gozin

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)14698-14702
Number of pages5
JournalJournal of Organic Chemistry
Volume83
Issue number23
DOIs
StatePublished - 7 Dec 2018

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