Реферат: Mass spectrometric characteristics of N-alkyl-4-nitro-1,2,3-triazoles were investigation using gas chromatograph with a quadrupole mass spectrometric detector in the mode of electron ionization (70 eV). The stability of the molecular ion was studied depending on the position, structure and nature of alkyl substituent at the endocyclic nitrogen atoms of nitrotriazole heterocycle. N2-alkyl-4-nitro-1,2,3-triazoles were found to have the highest stability and molecular ion intensity, independently of the alkyl substituent in the structure of the compound. The pathways of molecular ion fragmentation are proposed for the compounds under consideration, and characteristic ions are identified. Molecular ion fragmentation in N-alkyl-4-nitro-1,2,3-triazoles was discovered to start with the elimination of exocyclic NO2 group, followed by detachment of the respective alkyl substituent and generation of the cation radical of 1,2,3-triazole. Fragmentation of non-substituted cation radical of 1,2,3-triazole proceeds through characteristic detachment of N atom or neutral molecules N2 and HCN. In turn, the ionic decay of bulky alkyl substituents (cyclohexyl and benzyl radicals) leads to a group of characteristic ions with high relative intensity. In general, the findings demonstrate that mass spectrometry can be efficiently used for robust identification of structural isomerism (N1-, N2- and N3-isomers) of alkyl-4-nitro-1,2,3-triazoles and the products of their decomposition.

Библиографическая ссылка: Sukhanov G.T. , Bosov K.K. , Filippova Y.V. , Sukhanova A.G. , Krupnova I.A. , Pivovarova E.V.
Mass Spectrometric Characterization of N-Alkyl-4-nitro-1,2,3-triazoles
Chemistry for Sustainable Development. 2022. V.30. N6. P.676-685. DOI: 10.15372/csd2022431 WOS РИНЦ OpenAlex

Оригинальная версия: Суханов Г.Т. , Босов К.К. , Филиппова Ю.В. , Суханова А.Г. , Крупнова И.А. , Пивоварова Е.В.
Масс-спектрометрические характеристики N-алкил-4-нитро-1,2,3-триазолов
Химия в интересах устойчивого развития. 2022. Т.30. №6. С.697-706. DOI: 10.15372/khur2022431 РИНЦ CAPlus OpenAlex

Даты:

Опубликована online:

16 дек. 2022 г.

Идентификаторы БД:

Web of science:	WOS:000992956200001
РИНЦ:	49923497
OpenAlex:	W4312572959

Альметрики: