The Raman spectrum of dimethylaminophenyl pentazole (DMAPP)

Geiger, Uzi; Elyashiv, Ariel; Fraenkel, Ruchama; Zilberg, Shmuel; Haas, Yehuda

doi:10.1016/j.cplett.2012.11.082

Cited by 17 publications

(11 citation statements)

References 20 publications

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“…30,37 Both of the two are considered to be suitable for our work. 36 Raman spectroscopy also has been applied for testing labile materials extensively.…”

Section: Resultsmentioning

confidence: 99%

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Thermal stability of p-dimethylaminophenylpentazole

Yang

Zhang

et al. 2014

RSC Adv.

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The thermal stability of p-dimethylaminophenylpentazole (1) in the solid phase has been thoroughly investigated. The decomposition process of 1 has been verified by a combination of differential scanning calorimetry (DSC), thin-layer chromatography (TLC), temperature-programmed FTIR, and Raman spectroscopy. FTIR and Raman spectra were also calculated to corroborate the results. It was found that 1 could be handled below 20 C without any obvious deterioration, but it decomposed sharply at 56 C.The calculated FTIR and Raman vibrational frequencies were in accord with the experimental values.Scheme 1 Decomposition of p-dimethylaminophenylpentazole (1).

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“…30,37 Both of the two are considered to be suitable for our work. 36 Raman spectroscopy also has been applied for testing labile materials extensively.…”

Section: Resultsmentioning

confidence: 99%

“…The crystal structure of p-dimethylaminophenylpentazole, the most stable known arylpentazole, 27 was reported in 1983. Other spectroscopic studies 23,30 also showed its unstable nature, see Scheme 1. IR experiments 29 revealed that the nitrogen-loss decomposition process occurs through laser excitation rather than thermodynamic change.…”

Section: Introductionmentioning

confidence: 89%

Thermal stability of p-dimethylaminophenylpentazole

Yang

Zhang

et al. 2014

RSC Adv.

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“…This conclusion is consistent with the experimental results. 25,27,[34][35][36] E a,2 s of derivatives are generally larger than that of A. Although the increases in E a,2 caused by introduction of electron donating groups are not signicant, these groups generally do improve the stability of the pentazole.…”

Section: Stability Of the Pentazole Ringmentioning

confidence: 95%

“…According to experimental investigations, [25][26][27][34][35][36]60 A and its derivatives easily decompose into N 2 and azido compounds. This suggests that breaking of the N-N bonds of the N 5 ring may take place.…”

Section: Stability Of the Pentazole Ringmentioning

confidence: 99%

“…[25][26][27] In recent years, several photochemistry experimental investigations reveal that the N 5 rings of arylpentazole derivatives such as p-(dimethylamino)phenyl pentazole (DMAP) and p-oxidophenylpentazole easily decompose into N 2 and the corresponding phenyl azides. [34][35][36] Hence, the low stability of the N 5 ring should be the crucial factor in preventing the development of the pentazole derivatives.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical studies on the stability of phenylpentazole and its substituted derivatives of –OH, –OCH₃, –OC₂H₅and –N(CH₃)₂

Zhang

Yang

et al. 2014

RSC Adv.

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Phenylpentazole (PhN 5 ) and its derivatives with 1-3 electron donating substituents (-OH, -OCH 3 , -OC 2 H 5 and -N(CH 3 ) 2 ) were studied using density functional theory. The pyrolysis mechanism and effects of substituents on stabilities were discussed. The activation energies (E a s, 362-402 kJ mol À1 ) for the cleavage of the C-N bonds linking the aryl and the pentazole are far larger than those (109-117 kJ mol À1 ) for the breaking of the N-N bonds in the pentazole ring. Decomposition of the pentazole ring should be the initial step of pyrolysis of arylpentazole and its derivatives. The pentazole ring in PhN 5 is stabilized by substituents which increase the electron density and strengthen the delocalization of the N 5 ring. The abilities of these substituents to improve E a and to decrease the frontier orbital energy gap (E g ) have the same order: -N(CH 3 ) 2 > -OC 2 H 5 > -OCH 3 > -OH.

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