- Efficient masking of corrosion and fission products such as Ni(II) and Pd(II) in the presence of the minor actinide Am(III) using hydrophilic anionic or cationic bis-triazines
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Water soluble anionic and cationic bis-triazine ligands are able to suppress (mask) the extraction of corrosion and fission products such as Ni(II) and Pd(II) that are found in PUREX raffinates. Thus it is possible to separate these elements from the minor actinide Am(III). Although some masking agents have previously been developed that retard the extraction of Pd(II), this is the first time a masking agent has been developed for Ni(II).
- Lewis, Frank W.,Harwood, Laurence M.,Hudson, Michael J.,Müllich, Udo,Geist, Andreas
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- Formation of trinitromethyl functionalized 1,2,4-triazole-based energetic ionic salts and a zwitterionic salt directed by an intermolecular and intramolecular metathesis strategy
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Ionic salts of 5,5′-bis(trinitromethyl)-3,3′-bi-1H-1,2,4-triazole and an unexpected energetic zwitterion 5-diazonium-3-trinitromethyl-1,2,4-triazolate were synthesized via an intermolecular and intramolecular metathesis strategy. Compared with its ammonium (6), hydrazinium (7) and hydroxylammonium (8) salts, 5,5′-bis(trinitromethyl)-3,3′-bi-1H-1,2,4-triazole (5) exhibits lower sensitivities (IS: 22.5 J and FS: 252 N). It is worth noting that energetic salt 8 exhibits a high density of 1.97 g cm-3 and an excellent calculated detonation velocity of 9468 m s-1, and that the energetic zwitterion 5-diazonium-3-trinitromethyl-1,2,4-triazolate (14) exhibits a high density of 1.893 g cm-3 and an excellent calculated detonation velocity of 9317 m s-1, which are both superior to that of HMX (9254 m s-1).
- Ma, Qing,Gu, Hao,Huang, Jinglun,Nie, Fude,Fan, Guijuan,Liao, Longyu,Yang, Wei
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- Synthesis, structure, and properties of phosphorus-containing bis(amidrazones)
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Previously unknown ethenylphosphonic derivatives of bis(amidrazones) were prepared. According to spectroscopic data and quantum-chemical calculations, these compounds exist as phosphonium salts of a symmetrical linear structure with trans arrangement of the amidrazone fragments. In alkaline solutions, they are unstable and decompose to form triarylphosphine oxides. In contrast to ordinary amidrazones, their phosphorus-containing derivatives do not tend to form complexes with transition metals. Nauka/Interperiodica 2006.
- Popov,Shcherbakov,Tkachenko,Borodkin,Kogan
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- Nitrogen-rich bis-1,2,4-triazoles - A comparative study of structural and energetic properties
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In this contribution, the synthesis and full structural and spectroscopic characterization of five bis-1,2,4-triazoles in combination with different energetic moieties like amino, nitro, nitrimino, azido, and dinitromethylene groups is presented. The main goal is a comparative study on the influence of those energetic moieties on the structural and energetic properties. A complete characterization including IR, Raman, and multinuclear NMR spectroscopy of all compounds is presented. Additionally, X-ray crystallographic measurements were performed and deliver insight into structural characteristics as well as inter- and intramolecular interactions. The standard enthalpies of formation were calculated for all compounds at the CBS-4M level of theory, the detonation parameters were calculated by using the EXPLO5.05 program. Additionally, the impact as well as the friction sensitivities and the sensitivity against electrostatic discharge were determined. The potential application of the synthesized compounds as energetic material will be studied and evaluated by using the experimentally obtained values for the thermal decomposition, the sensitivity data, and the calculated performance characteristics. Bang, boom, bang: In this contribution the synthesis and full structural and spectroscopic characterization of five bis-1,2,4-triazoles in combination with different energetic moieties like amino, nitro, nitrimino, azido, and dinitromethylene groups is presented (see figure). The main goal is a comparative study on the influence of those energetic moieties on structural and energetic properties. Copyright
- Dippold, Alexander A.,Klap?tke, Thomas M.
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p. 16742 - 16753
(2013/03/28)
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- Process for the preparation of 5,5'-bi-1H-Tetrazolediammonium salts using hydrazine hydrate and dicyan as starting materials
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A process for preparing 5,5'-bi-lH-tetrazolediammonium salts (BHT · 2NH3) maintaining a high yield through oxaldiimidic acid dihydrazide (OAH) from the starting materials which are cheaply available and are easy to handle. The 5,5'-bi-1H-tetrazolediammonium salts (BHT · 2NH3) are prepared by dissolving the oxaldiimidic acid dihydrazide (OAH) obtained by the reaction of hydrated hydrazide with dicyan in an aqueous solution of a weakly acidic compound such as acetic acid, dropwisely adding an aqueous solution of sodium nitrite thereto form an azide thereof and to effect the cyclization reaction by heating, adding an aqueous solution of sodium hydroxide to the reaction product to convert it into a 5,5'-bi-1H-tetrazolediammonium salt (BHT · 2Na), reacting it with an aqueous solution of ammonium chloride, and recovering the formed ammonium salt as sparingly soluble crystals.
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- Preparation and characterization of the disjoint diradical 4,4′-bis(1,2,3,5-dithiadiazolyl) [S2N2C-CN2S2] and its iodine charge transfer salt [S2N2C-CN2S2][I]
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Condensation of oxamidrazone with sulfur dichloride in acetonitrile affords 4,4′-bis(1,2,3,5-dithiadiazolium) dichloride in moderate yield. Reduction of this salt with triphenylantimony yields the diradical 4,4′-bis(1,2,3,5-dithiadiazolyl) [S2N2C-CN2S2], which has been isolated and characterized in the solid state as its dimer [S2N2C-CN2S2]2. The diradical is disjoint, and ab initio molecular orbital methods confirm a very small energy gap (3 at 273 K) of a simple five-line pattern (aN = 0.50 mT, g = 2.011), i.e., there is no observable exchange coupling between the two centers. In the solid state, the dimer [S2N2C-CN2S2]2 forms a slipped stack structure, with a mean intradimer S-S distance of 3.078 ? and mean interdimer S- - -S contact of 3.761 ?. Cosublimation of the diradical with iodine produces the charge-transfer salt [S2N2C-CN2S2][I], orthorhombic space group Ccmm, a = 11.909(3) ?, b = 3.271(2) ?, c = 19.860(6) ?, Z = 4 (at 293 K). In this structure the heterocyclic rings form perfectly superimposed and evenly spaced stacks along the y direction, with channels of disordered iodines. The iodine-doped material is metallic at ambient temperatures, with a single-crystal conductivity of 460 S cm-1 at 300 K; variable temperature conductivity and magnetic measurements reveal a phase transition near 270 K, with the onset of semiconducting behavior. Transport data for the neutral and doped materials are discussed in the light of Extended Hückel band calculations.
- Bryan,Cordes,Goddard,Haddon,Hicks,MacKinnon,Mawhinney,Oakley,Palstra,Perel
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p. 330 - 338
(2007/10/03)
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- Ethanediimidic acid bis arylalkylidene)hydrazide
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This invention relates to improved imaging systems based on the formation of yellow colored coordination compounds of transition metals with certain ligands. The formation of colored coordination compounds can be employed to generate images and is important in the manufacture and use of pressure sensitive transfer papers for preparing carbonless copies. In particular, this invention relates to certain ethanediimidic acid bis[(arylalkylidene)hydrazide] compounds, and particularly to certain ethanediimidic acid bis[(o-hydroxyarylalkylidene)hydrazide] compounds, to their coordination compounds with certain transition metals, and to their use in pressure sensitive carbonless copy paper systems. These compounds have been found to provide excellent yellow colors when used in pressure sensitive carbonless copy-papers wherein the image is formed by the reaction of a color-forming compound with transition metal salts such as those of nickel, cobalt, iron, copper, and similar materials. These yellow color-formers have the advantage of greater solubility in encapsulation solvents and lower volatility than previously used yellow color-formers. The invention also concerns the admixture of these certain color-formers with N-(monosubstituted)dithiooxamides and/or N,N?-(disubstituted)dithiooxamides to form images of various colors and preferably black images during the application of appropriate pressure to pressure sensitive imaging constructions such as carbonless paper constructions.
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