Special Issue "Energetic Materials"

A special issue of Crystals (ISSN 2073-4352).

Deadline for manuscript submissions: closed (31 July 2015)

Special Issue Editor

Guest Editor
Prof. Dr. Thomas M. Klapötke

Department of Chemistry, Energetic Materials Research, Ludwig-Maximilian Universityof Munich, Butenandtstrasse 5-13, Haus D, 81377 München, Germany
Website | E-Mail
Phone: 004989218077491
Interests: advanced materials, explosives, high-energy-density materials (HEDM); oxidizers (HEDO), nitrogen-halogen chemistry, nitro chemistry, halogen chemistry; computational chemistry (semiempirical, ab initio, DFT); structural characterization (ED and X-ray); chalcogen-nitrogen chemistry, azide chemistry, fluorine chemistry; primary explosives; propellants (solid & liquid); ionic liquids; pyrotechnics (colorants, IR emitter); energetic polymers; agent defeat materials

Special Issue Information

Dear Colleagues,

Great strides have been made in increasing performance and decreasing sensitivity in energetic materials since the first commercialization of nitroglycerine (NG) in the form of dynamite in 1867 by Alfred Nobel. However, the Department of Defense (DoD) continues to rely on traditional, half-century-old energetics to meet their combat needs. New energetic materials must be developed to enable DoD to advance beyond traditionally thought of energetic capabilities, to transition to the next stage in combat, and to maintain a lethality overmatch with all enemies. Certain parameters are important in determining the effectiveness of new molecules in these formulations, including high densities, crystal packing, inter-molecular and inter-ionic contacts in the condensed phase, good oxygen balance, and high detonation/combustion temperatures.

Scientist and engineers, working in a broader sense on energetic materials, are invited to use this unique opportunity for presenting their work.

The topics summarized under the keywords should be considered only as examples or as guidelines. The volume is open for any advanced topics in the field of Energetic Materials.

Prof. Dr. Thomas M. Klapötke
Guest Editor

Manuscript Submission Information

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Keywords

  • energetic materials
  • explosives
  • co-crystallization
  • insensitive munitions
  • high-energy materials

Published Papers (5 papers)

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Research

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Open AccessArticle Physiochemical Characterization of Iodine (V) Oxide Part II: Morphology and Crystal Structure of Particulate Films
Crystals 2015, 5(4), 534-550; doi:10.3390/cryst5040534
Received: 16 September 2015 / Revised: 23 October 2015 / Accepted: 26 October 2015 / Published: 2 November 2015
Cited by 7 | PDF Full-text (3874 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
In this study, the production of particulate films of iodine (V) oxides is investigated. The influence that sonication and solvation of suspended particles in various alcohol/ketone/ester solvents have on the physical structure of spin or drop cast films is examined in detail with
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In this study, the production of particulate films of iodine (V) oxides is investigated. The influence that sonication and solvation of suspended particles in various alcohol/ketone/ester solvents have on the physical structure of spin or drop cast films is examined in detail with electron microscopy, powder x-ray diffraction, and UV-visible absorption spectroscopy. Results indicate that sonicating iodine oxides in alcohol mixtures containing trace amounts of water decreases deposited particle sizes and produces a more uniform film morphology. UV-visible spectra of the pre-cast suspensions reveal that for some solvents, the iodine oxide oxidizes the solvent, producing I2 and lowering the pH of the suspension. Characterizing the crystals within the cast films reveal their composition to be primarily HI3O8, their orientations to exhibit a preferential orientation, and their growth to be primarily along the ac-plane of the crystal, enhanced at higher spin rates. Spin-coating at lower spin rates produces laminate-like particulate films versus higher density, one-piece films of stacked particles produced by drop casting. The particle morphology in these films consists of a combination of rods, plates, cubes, and rhombohedra structure. Full article
(This article belongs to the Special Issue Energetic Materials)
Figures

Open AccessArticle Crystal Structures of Furazanes
Crystals 2015, 5(4), 418-432; doi:10.3390/cryst5040418
Received: 31 July 2015 / Revised: 4 September 2015 / Accepted: 14 September 2015 / Published: 24 September 2015
Cited by 5 | PDF Full-text (1223 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Several nitrogen-rich salts of 3-nitramino-4-nitrofurazane and dinitraminoazoxyfurazane were synthesized and characterized by various spectroscopic methods. The crystal structures were determined by low temperature single crystal X-ray diffraction. Moreover the sensitivities toward thermal and mechanical stimuli were determined by differential thermal analysis (DTA) and
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Several nitrogen-rich salts of 3-nitramino-4-nitrofurazane and dinitraminoazoxyfurazane were synthesized and characterized by various spectroscopic methods. The crystal structures were determined by low temperature single crystal X-ray diffraction. Moreover the sensitivities toward thermal and mechanical stimuli were determined by differential thermal analysis (DTA) and BAM (Bundesanstalt für Materialforschung und -prüfung) methods. The standard enthalpies of formation were calculated for all compounds at the CBS-4M level of theory, and the energetic performance was predicted with the EXPLO5 V6.02 computer code. Full article
(This article belongs to the Special Issue Energetic Materials)
Open AccessArticle Structures and Energetic Properties of Two New Salts Comprising the 5,5'-Azotetrazolate Dianion
Crystals 2015, 5(3), 405-417; doi:10.3390/cryst5030405
Received: 31 July 2015 / Revised: 27 August 2015 / Accepted: 8 September 2015 / Published: 18 September 2015
PDF Full-text (1125 KB) | HTML Full-text | XML Full-text
Abstract
Two new potentially energetic salts comprising the 5,5'-azotetrazolate dianion have been prepared and structurally characterized. The new azotetrazolates are tetraphenylphosphonium-5,5'-azotetrazolate (1) and 1H-1,2,4-triazole-1-carboxamidine-5,5'-azotetrazolate (2). The crystal structures of both compounds have been determined by single-crystal X-ray diffraction
[...] Read more.
Two new potentially energetic salts comprising the 5,5'-azotetrazolate dianion have been prepared and structurally characterized. The new azotetrazolates are tetraphenylphosphonium-5,5'-azotetrazolate (1) and 1H-1,2,4-triazole-1-carboxamidine-5,5'-azotetrazolate (2). The crystal structures of both compounds have been determined by single-crystal X-ray diffraction and their energetic properties have been tested. Due to its high nitrogen-content of 73.14%, compound 2 was found to be significantly impact-sensitive. Full article
(This article belongs to the Special Issue Energetic Materials)
Open AccessArticle A Comparative Theoretical Study of Picric Acid and Its Cocrystals
Crystals 2015, 5(3), 346-354; doi:10.3390/cryst5030346
Received: 15 July 2015 / Revised: 14 August 2015 / Accepted: 20 August 2015 / Published: 1 September 2015
Cited by 5 | PDF Full-text (1015 KB) | HTML Full-text | XML Full-text
Abstract
A novel cocrystal of picric acid/acetophenone was prepared by solvent evaporation method and the crystal structure was characterized by single crystal X-ray diffraction. Analysis of the crystal structure shows that the hydrogen bonding, van der Waals and π-π stacking are the main driving
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A novel cocrystal of picric acid/acetophenone was prepared by solvent evaporation method and the crystal structure was characterized by single crystal X-ray diffraction. Analysis of the crystal structure shows that the hydrogen bonding, van der Waals and π-π stacking are the main driving forces for the cocrystal formation. Density functional theory (DFT) calculation was performed to better understand the formation mechanism and properties of the cocrystal. The results suggest that π-π stacking is more important than hydrogen bonding considering their interaction energies. Furthermore, Mulliken charge analysis shows picric acid becomes less sensitive after cocrystallization with other compounds because of the electron transfer. Full article
(This article belongs to the Special Issue Energetic Materials)

Review

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Open AccessReview Recent Advances in the Synthesis of High Explosive Materials
Crystals 2016, 6(1), 5; doi:10.3390/cryst6010005
Received: 31 July 2015 / Revised: 11 December 2015 / Accepted: 22 December 2015 / Published: 29 December 2015
Cited by 14 | PDF Full-text (4128 KB) | HTML Full-text | XML Full-text
Abstract
This review discusses the recent advances in the syntheses of high explosive energetic materials. Syntheses of some relevant modern primary explosives and secondary high explosives, and the sensitivities and properties of these molecules are provided. In addition to the synthesis of such materials,
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This review discusses the recent advances in the syntheses of high explosive energetic materials. Syntheses of some relevant modern primary explosives and secondary high explosives, and the sensitivities and properties of these molecules are provided. In addition to the synthesis of such materials, processing improvement and formulating aspects using these ingredients, where applicable, are discussed in detail. Full article
(This article belongs to the Special Issue Energetic Materials)

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