Synthesis and thermochemical properties of NF2-containing energetic salts
| Autor: | Chengfeng Ye, Jean'ne M. Shreeve, Haixiang Gao |
|---|---|
| Rok vydání: | 2007 |
| Předmět: |
chemistry.chemical_classification
Isodesmic reaction Chemistry Organic Chemistry Inorganic chemistry Detonation chemistry.chemical_element Salt (chemistry) Biochemistry Standard enthalpy of formation Inorganic Chemistry chemistry.chemical_compound Salt metathesis reaction Fluorine Environmental Chemistry Molecule Ammonium Physical and Theoretical Chemistry |
| Zdroj: | Journal of Fluorine Chemistry. 128:1410-1415 |
| ISSN: | 0022-1139 |
| Popis: | Ammonium, 1,5-diamino-4-methyl-tetrazolium and 4-amino-1-methyl-triazolium salts of 5-difluoroaminodifluoromethyl-tetrazolate (TA-CF2NF2) were prepared by metathesis reactions of silver 5-difluoroaminodifluoromethyl-tetrazolate and the corresponding iodides. All are thermally stable to ∼150 °C. The ammonium salt has a density of 1.88 g cm−3. The combination of the CBS-4 method and isodesmic bond separation reactions was found to be an economical and reliable method to estimate heats of formation for polyfluorinated molecules. The standard heats of formation ( Δ f H 298 ° ) of ammonium 5-difluoroaminodifluoromethyl-tetrazolate was calculated to be −53.13 kcal mol−1 using the CBS-4 method. While its detonation pressures (P) and velocities (D) were estimated using Cheetah 4.0: P = 28.78 GPa; D = 8490 m s−1; detonation properties for 1,5-diamino-4-methyl-tetrazolium salts of 5-difluoroaminomethyltetrazolate (TA-CH2NF2), 5-difluoroaminotetrazolate (TA-NF2) and 5-difluoroaminodinitromethyl-tetrazolate (TA-C(NO2)2NF2) are also compared based on predicted densities and computed heats of formation. |
| Databáze: | OpenAIRE |
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