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Published February 21, 2024 | Version v1
Journal Article Open

High-Energy-Density Material with Magnetically Modulated Ignition

Creators

  • 1. ROR icon Temple University
  • 2. ROR icon California Institute of Technology
  • 3. ROR icon South Ural State University
  • 4. ROR icon Naval Postgraduate School
  • 5. ROR icon Georgia State University

Abstract

Preparation of a redox-frustrated high-energy-density energetic material is achieved by gentle protolysis of Mn[N(SiMe3)2]2 with the perchlorate salt of the tetrazolamide [H2NtBuMeTz]ClO4 (Tz = tetrazole), yielding the Mn6N6 hexagonal prismatic cluster, Mn6(μ3-NTztBuMe)6(ClO4)6. Quantum mechanics-based molecular dynamics simulations of the decomposition of this molecule predict that magnetic ordering of the d5 Mn2+ ions influences the pathway and rates of decomposition, suggesting that the initiation of decomposition of the bulk material might be significantly retarded by an applied magnetic field. We report here experimental tests of the prediction showing that the presence of a 0.5 T magnetic field modulates the ignition onset temperature by +10.4 ± 3.9 °C (from 414 ± 4 °C), demonstrating the first example of a magnetically modulated explosive.

Copyright and License

© 2024 American Chemical Society.

Acknowledgement

Support from the Office of Naval Research (Chad Stoltz, program manager) under award N00014-22-1-2060 to M.J.Z., ONR N00014-22-WX0-0310 to J.P.H., and ONR N00014-23-1-2105 to W.A.G. is gratefully acknowledged.

Funding

ONR- N00014–22–1–2060 – MJZ ONR N00014–22-WX0–0310 – JPH ONR N00014–23–1–2105– WAG

Contributions

J.E.A. and S.V.Z. contributed equally to this work. The manuscript was written through contributions of all authors.

Conflict of Interest

The authors declare no competing financial interest.

Data Availability

  • Details of statistical tests; table of ignition data; FT-IR and UV–vis absorption spectra; additional computational details; and crystallographic tables (PDF)

  • Sample initiation (MP4)

Accession Codes. CCDC 2183424 contains the supplementary crystallographic data for this paper.

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Additional details

Identifiers

ISSN
1520-5126

Funding

Office of Naval Research
N00014-22-1-2060
Office of Naval Research
N00014-22-WX0-0310
Office of Naval Research
N00014-23-1-2105