کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1315572 | 976047 | 2007 | 6 صفحه PDF | دانلود رایگان |

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 (ΔfH298°) 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.
NF2-containing energetic salts were prepared and heats of formation were calculated and their detonation properties were predicted. Figure optionsDownload as PowerPoint slide
Journal: Journal of Fluorine Chemistry - Volume 128, Issue 11, November 2007, Pages 1410–1415