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Pentafluorosulfanyl (SF5) Containing Energetic SaltsEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 16 2006
Abstract New quaternary salts of pentafluorosulfanyl-substituted (SF5) N -methylimidazole (1), 4-amino-1,2,4-triazole (3) or pyridine (5) were prepared and characterized. Most of the salts exhibit good thermal stabilities and low melting points placing them in the ionic liquid class. Their densities range between 1.4 and 1.8 g/cm3. The standard enthalpies of formation for the new salts were calculated by the use of computationally feasible DFT(B3LYP) and MP2 methods in conjunction with an empirical approach based on densities of salts. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006) [source]
Polycyano-Anion-Based Energetic SaltsCHEMISTRY - A EUROPEAN JOURNAL, Issue 4 2008
Haixiang Gao Dr.
Abstract Energetic salts based on polycyano anions and cations with a high nitrogen content tend to have extensive hydrogen bonding and exhibit heats of formation up to ,Hf=1579.1,kJ,mol,1. Based on theoretical calculations, some of the new salts may be considered to be low-energy monopropellants. One of the salts can be used as a precursor to a carbon nitride. [source]
2,4,5-Trinitroimidazole-Based Energetic SaltsCHEMISTRY - A EUROPEAN JOURNAL, Issue 14 2007
Haixiang Gao Dr.
Abstract 2,4,5-Trinitroimidazolate (TNI) salts with "high-nitrogen" cations tend to be highly hydrogen bonded and have heats of formation ranging up to 616,kJ,mol,1. Density, oxygen balance, and thermostability are enhanced by the presence of TNI. Based on theoretical calculations, all of the new salts are potential propellants. [source]
Cyclic Quaternary Ammonium Ionic Liquids with Perfluoroalkyltrifluoroborates: Synthesis, Characterization, and PropertiesCHEMISTRY - A EUROPEAN JOURNAL, Issue 8 2006
Zhi-Bin Zhou Dr.
Abstract New cyclic quaternary ammonium salts, composed of N -alkyl(alkyl ether)- N -methylpyrrolidinium, -oxazolidinium, -piperidinium, or -morpholinium cations (alkyl=nC4H9, alkyl ether=CH3OCH2, CH3OCH2CH2) and a perfluoroalkyltrifluoroborate anion ([RFBF3],, RF=CF3, C2F5, nC3F7, nC4F9), were synthesized and characterized. Most of these salts are liquids at room temperature. The key properties of these salts,phase transitions, thermal stability, density, viscosity, conductivity, and electrochemical windows,were measured and compared to those of their corresponding [BF4], and [(CF3SO2)2N], salts. The structural effect on all the above properties was intensively studied in terms of the identity of the cation and anion, variation of the side chain in the cation (i.e., alkyl versus alkyl ether), and change in the length of the perfluoroalkyl group (RF) in the [RFBF3], ion. The reduction of Li+ ions and reoxidation of Li metal took place in pure N -butyl- N -methylpyrrolidinium pentafluoroethyltrifluoroborate as the supporting electrolyte. Such comprehensive studies enhance the knowledge necessary to design and optimize ionic liquids for many applications, including electrolytes. Some of these new salts show desirable properties, including low melting points, high thermal stabilities, low viscosities, high conductivities, and wide electrochemical windows, and may thus be potential candidates for use as electrolytes in high-energy storage devices. In addition, many salts are ionic plastic crystals. [source]
Energetic N,N,N,,N, -Tetraaminopiperazinium SaltsCHEMSUSCHEM CHEMISTRY AND SUSTAINABILITY, ENERGY & MATERIALS, Issue 3 2008
Haixiang Gao Prof.
Abstract The formation of tetraaminopiperazinium salts using water as solvent provides a green, straightforward approach to highly energetic salts that exhibit good thermal stabilities and moderate densities. The N,N,N,,N, -tetraaminopiperazinium cation was selected for this study because of its high nitrogen,nitrogen bond content and its high positive heat of formation. Theoretical and empirical calculations on energetic salts based on this nitrogen-rich cation reveal them to have high positive molar enthalpies of formation, as high as 1034.0,kJ,mol,1, supporting the application of these new salts as potential energetic materials. [source]