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Title: Laser initiation of Fe(II) complexes of 4-nitro-pyrazolyl substituted tetrazine ligands

Abstract

Here, the synthesis and characterization of new 1,2,4-triazolyl and 4-nitro-pyrazolyl substituted tetrazine ligands has been achieved. The strongly electron deficient 1,2,4-triazolyl substituted ligands did not coordinate Fe(II) metal centers, while the mildly electron deficient 4-nitro-pyrazolyl substituted ligands did coordinate Fe(II) metal centers in a 2:1 ratio of ligand to metal. The thermal stability and mechanical sensitivity characteristics of the complexes are similar to the conventional explosive pentaerythritol tetranitrate. The complexes had strong absorption in the visible region of the spectrum that extended into the near-infrared. In spite of having improved oxygen balances, increased mechanical sensitivity, and similar absorption of NIR light to recently reported Fe(II) tetrazine complexes, these newly synthesized explosives were more difficult to initiate with Nd:YAG pulsed laser light. More specifically, the complexes required lower densities (0.9 g/cm 3) to initiate at the same threshold utilized to initiate previous materials at higher densities (1.05 g/cm 3).

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [1]; ORCiD logo [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1351988
Report Number(s):
LA-UR-16-29289
Journal ID: ISSN 0020-1669
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 56; Journal Issue: 4; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Myers, Thomas Winfield, Brown, Kathryn Elizabeth, Chavez, David E., Scharff, Robert Jason, and Veauthier, Jacqueline Marie. Laser initiation of Fe(II) complexes of 4-nitro-pyrazolyl substituted tetrazine ligands. United States: N. p., 2017. Web. doi:10.1021/acs.inorgchem.6b02998.
Myers, Thomas Winfield, Brown, Kathryn Elizabeth, Chavez, David E., Scharff, Robert Jason, & Veauthier, Jacqueline Marie. Laser initiation of Fe(II) complexes of 4-nitro-pyrazolyl substituted tetrazine ligands. United States. doi:10.1021/acs.inorgchem.6b02998.
Myers, Thomas Winfield, Brown, Kathryn Elizabeth, Chavez, David E., Scharff, Robert Jason, and Veauthier, Jacqueline Marie. Wed . "Laser initiation of Fe(II) complexes of 4-nitro-pyrazolyl substituted tetrazine ligands". United States. doi:10.1021/acs.inorgchem.6b02998. https://www.osti.gov/servlets/purl/1351988.
@article{osti_1351988,
title = {Laser initiation of Fe(II) complexes of 4-nitro-pyrazolyl substituted tetrazine ligands},
author = {Myers, Thomas Winfield and Brown, Kathryn Elizabeth and Chavez, David E. and Scharff, Robert Jason and Veauthier, Jacqueline Marie},
abstractNote = {Here, the synthesis and characterization of new 1,2,4-triazolyl and 4-nitro-pyrazolyl substituted tetrazine ligands has been achieved. The strongly electron deficient 1,2,4-triazolyl substituted ligands did not coordinate Fe(II) metal centers, while the mildly electron deficient 4-nitro-pyrazolyl substituted ligands did coordinate Fe(II) metal centers in a 2:1 ratio of ligand to metal. The thermal stability and mechanical sensitivity characteristics of the complexes are similar to the conventional explosive pentaerythritol tetranitrate. The complexes had strong absorption in the visible region of the spectrum that extended into the near-infrared. In spite of having improved oxygen balances, increased mechanical sensitivity, and similar absorption of NIR light to recently reported Fe(II) tetrazine complexes, these newly synthesized explosives were more difficult to initiate with Nd:YAG pulsed laser light. More specifically, the complexes required lower densities (0.9 g/cm3) to initiate at the same threshold utilized to initiate previous materials at higher densities (1.05 g/cm3).},
doi = {10.1021/acs.inorgchem.6b02998},
journal = {Inorganic Chemistry},
number = 4,
volume = 56,
place = {United States},
year = {2017},
month = {2}
}

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The Chemistry and Properties of Energetic Materials Bearing [1,2,4]Triazolo[4,3- b ][1,2,4,5]tetrazine Fused Rings
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Comparison of 1‐Ethyl‐5 H ‐tetrazole and 1‐Azidoethyl‐5 H ‐tetrazole as Ligands in Energetic Transition Metal Complexes
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  • Wurzenberger, Maximilian H. H.; Gruhne, Michael S.; Lommel, Marcus
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Methylsemicarbazide as a Ligand in Late 3d Transition Metal Complexes
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  • Szimhardt, Norbert; Stierstorfer, Jörg
  • Chemistry - A European Journal, Vol. 24, Issue 11
  • DOI: 10.1002/chem.201705030

Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation
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  • Ma, Qing; chen, Ya; Liao, Longyu
  • Dalton Transactions, Vol. 46, Issue 23
  • DOI: 10.1039/c7dt01261f

Synthesis and properties of insensitive [1,2,4]triazolo[4,3- b ]-1,2,4,5-tetrazine explosives
journal, January 2019

  • Wang, Guilong; Lu, Tian; Fan, Guijuan
  • New Journal of Chemistry, Vol. 43, Issue 4
  • DOI: 10.1039/c8nj05220d

2-Methyl-substituted monotetrazoles in copper( ii ) perchlorate complexes: manipulating coordination chemistry and derived energetic properties
journal, January 2019

  • Zeisel, Lukas; Szimhardt, Norbert; Wurzenberger, Maximilian H. H.
  • New Journal of Chemistry, Vol. 43, Issue 2
  • DOI: 10.1039/c8nj05375h

Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles
journal, January 2018

  • Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.
  • Journal of Materials Chemistry A, Vol. 6, Issue 15
  • DOI: 10.1039/c8ta01412d

Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5 H -tetrazole ligands
journal, January 2018

  • Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas
  • Journal of Materials Chemistry A, Vol. 6, Issue 33
  • DOI: 10.1039/c8ta06326e

The Chemistry and Properties of Energetic Materials Bearing [1,2,4]Triazolo[4,3- b ][1,2,4,5]tetrazine Fused Rings
journal, October 2018

  • Wang, Guilong; Lu, Tian; Fan, Guijuan
  • Chemistry - An Asian Journal, Vol. 13, Issue 23
  • DOI: 10.1002/asia.201801145

Comparison of 1‐Ethyl‐5 H ‐tetrazole and 1‐Azidoethyl‐5 H ‐tetrazole as Ligands in Energetic Transition Metal Complexes
journal, April 2019

  • Wurzenberger, Maximilian H. H.; Gruhne, Michael S.; Lommel, Marcus
  • Chemistry – An Asian Journal, Vol. 14, Issue 11
  • DOI: 10.1002/asia.201900269

Methylsemicarbazide as a Ligand in Late 3d Transition Metal Complexes
journal, January 2018

  • Szimhardt, Norbert; Stierstorfer, Jörg
  • Chemistry - A European Journal, Vol. 24, Issue 11
  • DOI: 10.1002/chem.201705030

Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation
journal, January 2017

  • Ma, Qing; chen, Ya; Liao, Longyu
  • Dalton Transactions, Vol. 46, Issue 23
  • DOI: 10.1039/c7dt01261f

Synthesis and properties of insensitive [1,2,4]triazolo[4,3- b ]-1,2,4,5-tetrazine explosives
journal, January 2019

  • Wang, Guilong; Lu, Tian; Fan, Guijuan
  • New Journal of Chemistry, Vol. 43, Issue 4
  • DOI: 10.1039/c8nj05220d

2-Methyl-substituted monotetrazoles in copper( ii ) perchlorate complexes: manipulating coordination chemistry and derived energetic properties
journal, January 2019

  • Zeisel, Lukas; Szimhardt, Norbert; Wurzenberger, Maximilian H. H.
  • New Journal of Chemistry, Vol. 43, Issue 2
  • DOI: 10.1039/c8nj05375h

Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles
journal, January 2018

  • Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.
  • Journal of Materials Chemistry A, Vol. 6, Issue 15
  • DOI: 10.1039/c8ta01412d

Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5 H -tetrazole ligands
journal, January 2018

  • Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas
  • Journal of Materials Chemistry A, Vol. 6, Issue 33
  • DOI: 10.1039/c8ta06326e