title: Pentazadiene: a high-nitrogen linkage in energetic materials.
abstract: A novel N5-linear energetic moiety of pentazadiene has been constructed for the first time from a triazene precursor. Thus, a series of 1,3,5-tri(tetrazol-5-yl)pentaza-1,4-dienes have been synthesized in moderate to high yields by treatment of 1,3-bis(tetr-azol-5-yl)triazenes with 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDCI) under mild conditions. All compounds were fully characterized using IR spectroscopy,1H and13C NMR spectroscopy, HRMS, and differential scanning calorimetry (DSC), and, in the case of 1,3,5-tri(2-methyltetrazol-5-yl)pentaza-1,4-diene (2a) together with single crystal X-ray structuring and15N NMR spectroscopy. Calculations predict that 2a has a heat of formation of 1699.2 kJ mol-1.
authors.affiliation: School of Chemical Engineering & the Environment, Beijing Institute of Technology, 5 South Zhongguancun street, Haidian district, Beijing 100081, China. fuxue.chen@bit.edu.cn.
authors.forename: Qi
authors.initials: Q
authors.lastname: Wang
authors.affiliation: School of Chemical Engineering & the Environment, Beijing Institute of Technology, 5 South Zhongguancun street, Haidian district, Beijing 100081, China. fuxue.chen@bit.edu.cn.
authors.forename: Fuqing
authors.initials: F
authors.lastname: Pang
authors.affiliation: School of Chemical Engineering & the Environment, Beijing Institute of Technology, 5 South Zhongguancun street, Haidian district, Beijing 100081, China. fuxue.chen@bit.edu.cn.
authors.forename: Guilong
authors.initials: G
authors.lastname: Wang
authors.affiliation: Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang, 621050, Sichuan, China.
authors.forename: Jinglun
authors.initials: J
authors.lastname: Huang
authors.affiliation: Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang, 621050, Sichuan, China.
authors.forename: Fude
authors.initials: F
authors.lastname: Nie
authors.affiliation: School of Chemical Engineering & the Environment, Beijing Institute of Technology, 5 South Zhongguancun street, Haidian district, Beijing 100081, China. fuxue.chen@bit.edu.cn.
authors.forename: Fu-Xue
authors.identifier: http://orcid.org/0000-0002-9091-2147
authors.initials: FX
authors.lastname: Chen