Thermal Decomposition of 1-[2,2-bis(Methoxy-NNO-azoxy)ethyl]-3-nitropyrazole

被引：5

作者：

Zakharov, V. V. ^{[1
]}

Korsunsky, B. L. ^{[1
,2
]}

Larikova, T. S. ^{[1
]}

Zyuzin, I. N. ^{[1
]}

Chukanov, N. V. ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka, Russia

[2] Russian Acad Sci, Semenov Inst Chem Phys, Moscow, Russia

来源：

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B | 2022年 / 16卷 / 05期

关键词：

high-energy compounds; thermal decomposition; alkoxy-NNO-azoxy compounds; nitropyrazoles; thermal analysis; IR spectroscopy; mass spectrometry; NMR H-1; kinetics; ENERGY CHARACTERISTICS; KINETICS; DERIVATIVES; HYDROLYSIS; CAPABILITIES;

D O I：

10.1134/S1990793122050128

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The thermal decomposition of 1-[2,2-bis(methoxy-NNO-azoxy)ethyl]-3-nitropyrazole (I) in isothermal and nonisothermal conditions is studied using the methods of thermal analysis, manometry, IR spectroscopy, mass spectrometry, and NMR H-1. The heat of the alpha -> beta polymorphic transition, the melting heat of beta-I, and the heat of thermal decomposition I are 0.4, 6.2, and 79.2 kcal/mol (274 cal/g), respectively. The composition of the reaction products is analyzed. Among the products formed, N2O, H2O, NO2, NO, N-2, CH3OH, and 3-nitropyrazole are identified. The kinetics of the thermal decomposition of I is complex and cannot be described by simple equations. The effective activation energies of the reaction are determined to be close to 34-35 kcal/mol and slightly increase with the progress of decomposition. It is concluded that the first stage of the reaction involves the elimination of the methoxydiazene oxide group through a five-membered cyclic transition state. The number of nitro groups attached to the pyrazole ring does not affect the kinetics of the thermal decomposition.

引用

页码：846 / 853

页数：8

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