Energetic aminated-azole assemblies from intramolecular and intermolecular N-H⋯O and N-H⋯N hydrogen bonds

Chunlin He; Ping Yin; Lauren A. Mitchell; Damon A. Parrish; Jean'Ne M. Shreeve

doi:10.1039/c6cc03833f

Energetic aminated-azole assemblies from intramolecular and intermolecular N-H⋯O and N-H⋯N hydrogen bonds

Chunlin He, Ping Yin, Lauren A. Mitchell, Damon A. Parrish, Jean'Ne M. Shreeve

Chemistry (Twin Cities)

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

64 Scopus citations

Abstract

Compounds with adjacent C-NO₂, C-NH₂ and N-NH₂ groups were designed and synthesized via amination. Their structures were characterized by infrared, and multinuclear NMR spectroscopy, elemental analysis, and X-ray single crystal diffraction. The effect of intramolecular and intermolecular N-H⋯O and N-H⋯N hydrogen bonds is discussed. Detonation properties were calculated by EXPLO 5 software based on calculated HOFs and experimental densities.

Original language	English (US)
Pages (from-to)	8123-8126
Number of pages	4
Journal	Chemical Communications
Volume	52
Issue number	52
DOIs	https://doi.org/10.1039/c6cc03833f
State	Published - 2016

Bibliographical note

Funding Information:
This work was supported by the Office of Naval Research (N00014-16-1-2089) and the Defense Threat Reduction Agency (HDTRA 1-15-1-0028).

Publisher Copyright:
© The Royal Society of Chemistry 2016.

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abstract = "Compounds with adjacent C-NO2, C-NH2 and N-NH2 groups were designed and synthesized via amination. Their structures were characterized by infrared, and multinuclear NMR spectroscopy, elemental analysis, and X-ray single crystal diffraction. The effect of intramolecular and intermolecular N-H⋯O and N-H⋯N hydrogen bonds is discussed. Detonation properties were calculated by EXPLO 5 software based on calculated HOFs and experimental densities.",

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AU - He, Chunlin

AU - Yin, Ping

AU - Mitchell, Lauren A.

AU - Parrish, Damon A.

AU - Shreeve, Jean'Ne M.

N1 - Funding Information: This work was supported by the Office of Naval Research (N00014-16-1-2089) and the Defense Threat Reduction Agency (HDTRA 1-15-1-0028). Publisher Copyright: © The Royal Society of Chemistry 2016.

PY - 2016

Y1 - 2016

N2 - Compounds with adjacent C-NO2, C-NH2 and N-NH2 groups were designed and synthesized via amination. Their structures were characterized by infrared, and multinuclear NMR spectroscopy, elemental analysis, and X-ray single crystal diffraction. The effect of intramolecular and intermolecular N-H⋯O and N-H⋯N hydrogen bonds is discussed. Detonation properties were calculated by EXPLO 5 software based on calculated HOFs and experimental densities.

AB - Compounds with adjacent C-NO2, C-NH2 and N-NH2 groups were designed and synthesized via amination. Their structures were characterized by infrared, and multinuclear NMR spectroscopy, elemental analysis, and X-ray single crystal diffraction. The effect of intramolecular and intermolecular N-H⋯O and N-H⋯N hydrogen bonds is discussed. Detonation properties were calculated by EXPLO 5 software based on calculated HOFs and experimental densities.

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Energetic aminated-azole assemblies from intramolecular and intermolecular N-H⋯O and N-H⋯N hydrogen bonds

Abstract

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