Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials

Yingle Liu; Chunlin He; Yongxing Tang; Gregory H. Imler; Damon A. Parrish; Jean'Ne M. Shreeve

doi:10.1039/c8dt05071f

Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials

Yingle Liu^*, Chunlin He, Yongxing Tang, Gregory H. Imler, Damon A. Parrish, Jean'Ne M. Shreeve

^*Corresponding author for this work

School of Material Science and Engineering

Research output: Contribution to journal › Article › peer-review

35 Citations (Scopus)

Abstract

A class of polyazole energetic compounds (combination of tetrazolyl, dinitromethyl and triazole) was obtained from 4,5-dicyanotriazole. All the new compounds were fully characterized by IR, NMR [ ¹ H, ¹³ C{ ¹ H}], elemental analysis, and differential scanning calorimetry (DSC). Compounds 5, 6 and 8 were further characterized with single-crystal X-ray diffraction studies. Heats of formation and detonation performances were determined using Gaussian 03 and EXPLO5 v6.01 programs, which show that 5 is a promising green primary explosive and 7 as a secondary explosive has a detonation velocity superior to 1,3,5-trinitrotriazacyclohexane (RDX).

Original language	English
Pages (from-to)	3237-3242
Number of pages	6
Journal	Dalton Transactions
Volume	48
Issue number	10
DOIs	https://doi.org/10.1039/c8dt05071f
Publication status	Published - 2019

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title = "Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials",

abstract = " A class of polyazole energetic compounds (combination of tetrazolyl, dinitromethyl and triazole) was obtained from 4,5-dicyanotriazole. All the new compounds were fully characterized by IR, NMR [ 1 H, 13 C{ 1 H}], elemental analysis, and differential scanning calorimetry (DSC). Compounds 5, 6 and 8 were further characterized with single-crystal X-ray diffraction studies. Heats of formation and detonation performances were determined using Gaussian 03 and EXPLO5 v6.01 programs, which show that 5 is a promising green primary explosive and 7 as a secondary explosive has a detonation velocity superior to 1,3,5-trinitrotriazacyclohexane (RDX).",

author = "Yingle Liu and Chunlin He and Yongxing Tang and Imler, {Gregory H.} and Parrish, {Damon A.} and Shreeve, {Jean'Ne M.}",

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year = "2019",

doi = "10.1039/c8dt05071f",

language = "English",

volume = "48",

pages = "3237--3242",

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TY - JOUR

T1 - Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials

AU - Liu, Yingle

AU - He, Chunlin

AU - Tang, Yongxing

AU - Imler, Gregory H.

AU - Parrish, Damon A.

AU - Shreeve, Jean'Ne M.

PY - 2019

Y1 - 2019

N2 - A class of polyazole energetic compounds (combination of tetrazolyl, dinitromethyl and triazole) was obtained from 4,5-dicyanotriazole. All the new compounds were fully characterized by IR, NMR [ 1 H, 13 C{ 1 H}], elemental analysis, and differential scanning calorimetry (DSC). Compounds 5, 6 and 8 were further characterized with single-crystal X-ray diffraction studies. Heats of formation and detonation performances were determined using Gaussian 03 and EXPLO5 v6.01 programs, which show that 5 is a promising green primary explosive and 7 as a secondary explosive has a detonation velocity superior to 1,3,5-trinitrotriazacyclohexane (RDX).

AB - A class of polyazole energetic compounds (combination of tetrazolyl, dinitromethyl and triazole) was obtained from 4,5-dicyanotriazole. All the new compounds were fully characterized by IR, NMR [ 1 H, 13 C{ 1 H}], elemental analysis, and differential scanning calorimetry (DSC). Compounds 5, 6 and 8 were further characterized with single-crystal X-ray diffraction studies. Heats of formation and detonation performances were determined using Gaussian 03 and EXPLO5 v6.01 programs, which show that 5 is a promising green primary explosive and 7 as a secondary explosive has a detonation velocity superior to 1,3,5-trinitrotriazacyclohexane (RDX).

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U2 - 10.1039/c8dt05071f

DO - 10.1039/c8dt05071f

M3 - Article

C2 - 30747933

AN - SCOPUS:85062404168

SN - 1477-9226

VL - 48

SP - 3237

EP - 3242

JO - Dalton Transactions

JF - Dalton Transactions

IS - 10

ER -

Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials

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