Study on Primary Step of Initiation Mechanisms of Two Polynitro Arenes

• Autorzy: Zeman, S. , Shu, Y. , Wang, X.
• Języki publikacji: EN

Abstrakty

EN

Each one of the 2,6-bis(2,4,6-trinitrophenylamino)-3,5-dinitropyridine (PYX) and 2,4,6-tris(3-methyl-2,4,6-trinitrophenylamino)-1 ,3,5-triazine (TMPM) molecules contains two potential centres of primary fission in its initiation. This fission should be accomplished by migration of the y-hydrogen atom to the oxygen atom of the ortho-nitro group ("trinitrotoluene mechanism"). The morę probable pathways of initiation of the named molecules are estimated from considerations involving the several relationships: (1) between impact sensitivity and the 13C NMR chemical shifts of some polynitro arenas; (2) between Mulliken charges on nitrogen atoms of the primarily reacting nitro group and onsets of thermal decompositions from differential thermal analyses of the said compounds; and, (3) with computations obtained using the DFT-B3LYP/3-21g methods in the GAUSSIAN 98/03 program.

Słowa kluczowe

EN

2,6-bis(2,4,6-trinitrophenylamino)-3,5-dinitropyridine; 2,4,6-tris(3-methyl-2,4,6-trinitro-phenylamino)-1,3,5-triazine; mechanism; initiation

• Czasopismo: Central European Journal of Energetic Materials
• Rocznik: 2005
• Tom: Vol. 2, nr 4
• Strony: 47-54
• Opis fizyczny: Bibliogr. 15 poz.

Twórcy

autor

Zeman, S.

• Institute of Energetic Materials University of Pardubice CZ-532 10 Pardubice, Czech Republic,

autor

Shu, Y.

• Institute of Chemical Materials CAEP p o. Box 919-301, Mianyang Sichuan 621900, P R. China

autor

Wang, X.

• Institute of Chemical Materials CAEP p o. Box 919-301, Mianyang Sichuan 621900, P R. China

Bibliografia

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