Estimation of activation energies of thermal decomposition of nitro compounds based on structural descriptors

Kumskov, M. I.; Peshkova, S. E.; Ponomareva, L. A.; Rezchikova, K. I.

doi:10.1007/bf01457760

Cited by 3 publications

(2 citation statements)

References 2 publications

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“…51 ± 53 Correlations between the activation energy, E a , for decomposition of nitro compounds and their structural characteristics were established using home-made codes. 54,55 These correlations are to some extent useful for systematisation of experimental data on the rate constants; however, detailed analysis of the reactivity problem can be performed only for groups of related reactions. Moreover, interpretation of the physical meaning of the correlation coefficients is arbitrary.…”

Section: Ch3omentioning

confidence: 99%

Chemical physics of decomposition of energetic materials. Problems and prospects

Смирнов¹

2004

Russ. Chem. Rev.

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Section: Ch3omentioning

confidence: 99%

Chemical physics of decomposition of energetic materials. Problems and prospects

Смирнов¹

2004

Russ. Chem. Rev.

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“…Bromopicrin is thermally labile and decomposes at commonly used GC injection port temperatures (200-250 °C) (5), largely due to a low bond dissociation energy for the CBr 3-NO2 bond (approximately 40 kcal/mol) (12). Thermolysis of bromopicrin generates free radicals (12), such as • CBr3, • NO2, and • Br, which can undergo reactions with the solvent or combine with other radicals to form reaction products in the GC injection port (e.g., bromoform, carbon tetrabromide). Three other trihalonitromethanessdibromochloronitromethane, bromodichloronitromethane, and chloropicrinsalso decompose readily in the GC injection port at commonly used temperatures.…”

Section: Introductionmentioning

confidence: 99%

Hydrogen Abstraction and Decomposition of Bromopicrin and Other Trihalogenated Disinfection Byproducts by GC/MS

Chen

Richardson

Krasner³

et al. 2002

Environ. Sci. Technol.

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Tribromonitromethane (bromopicrin), dibromochloronitromethane, bromodichloronitromethane, and trichloronitromethane (chloropicrin) have been identified as drinking water disinfection byproducts (DBPs). They are thermally unstable and decompose under commonly used injection port temperatures (200-250 degrees C) during gas chromatography (GC) or GC/mass spectrometry (GC/MS) analysis. The major decomposition products are haloforms (such as bromoform), which result from the abstraction of a hydrogen atom from the solvent bythermally generated trihalomethyl radicals. A number of other products formed by radical reactions with the solvent and other radicals were also detected. The trihalonitromethanes also decompose in the hot GC/MS transfer line, and the mass spectra obtained are mixed spectra of the undecomposed parent compound and decomposition products. This can complicate the identification of these compounds by GC/MS. Trihalomethyl compounds that do not have a nitro group, such as tribromoacetonitrile, carbon tetrabromide, methyl tribromoacetate, and tribromoacetaldehyde, do not decompose or only slightly decompose in the GC injection port and GC/MS transfer line. The brominated trihalomethyl compounds studied also showed H/Br exchange by some of their fragment ions. This H/Br exchange also makes the identification of these compounds in drinking water more difficult. The extent of H/Br exchange was found to depend on the mass spectrometer ion source temperature, and it is proposed that the internal surface of the ion source is involved in this process.

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Training of Specialists in On-Board Communication Systems

Ponomareva

Ромашкова

2020

2020 Systems of Signals Generating and Processing in the Field of on Board Communications

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Estimation of activation energies of thermal decomposition of nitro compounds based on structural descriptors

Cited by 3 publications

References 2 publications

Chemical physics of decomposition of energetic materials. Problems and prospects

Chemical physics of decomposition of energetic materials. Problems and prospects

Hydrogen Abstraction and Decomposition of Bromopicrin and Other Trihalogenated Disinfection Byproducts by GC/MS

Training of Specialists in On-Board Communication Systems

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