Ion mobility spectrometry of N-methylimidazole and possibilities of its determination

Objectives. To determine the ion mobility of N-methylimidazole, establish the structure of ions corresponding to characteristic signals, and determine the detection limit of N-methylimidazole on the ion-drift detector Kerber.Methods. Ion mobility spectrometry was used to study the ionization process...

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Bibliographic Details
Published in:Fine Chemical Technologies
Main Authors: D. A. Aleksandrova, T. B. Melamed, E. P. Baberkina, A. A. Fenin, E. S. Osinova, А. E. Kovalenko, R. V. Yakushin, Yu. R. Shaltaeva, V. V. Belyakov, D. I. Zykova, Д. А. Александрова, Т. Б. Меламед, Е. П. Баберкина, А. А. Фенин, Е. С. Осинова, А. Е. Коваленко, Р. В. Якушин, Ю. Р. Шалтаева, В. В. Беляков, Д. И. Зыкова
Format: Article in Journal/Newspaper
Language:Russian
English
Published: MIREA – Russian Technological University (RTU MIREA). 2022
Subjects:
N-метил имидазол
characteristic signal
protonation
heterocyclic nitrogen compounds
pyridine
imidazole
N-methylimidazole
характеристический сигнал
протонирование
гетероциклические соединения азота
пиридин
имидазол
Orca
Online Access:https://www.finechem-mirea.ru/jour/article/view/1773
https://doi.org/10.32362/2410-6593-2021-16-6-512-525
Description
Summary:Objectives. To determine the ion mobility of N-methylimidazole, establish the structure of ions corresponding to characteristic signals, and determine the detection limit of N-methylimidazole on the ion-drift detector Kerber.Methods. Ion mobility spectrometry was used to study the ionization processes. The enthalpies of the reactions of monomer and dimer ions were calculated in the ORCA 4.1.1 software by the B3LYP density functional method with a set of basic functions 6-31G (d, p).Results. The drift time and ion mobility values of N-methylimidazole were determined. A method for mathematical processing of spectra and a program for its implementation was developed. The changing peculiarities of the ion mobility spectrum during measurement at a given time were studied. According to the interpretation of the spectrum signals, the structure of the generated ions was proposed, and the enthalpies of ion formation were determined.Conclusions. The characteristic signal of the N-methylimidazole ion protonated at the nitrogen atom of the pyridine type was revealed. It was found that two signals in the ion mobility spectra of N-methylimidazole correspond to the presence of the monomer and dimer ions. The detection limit of N-methylimidazole on the ion-drift detector Kerber was determined, amounting to 3 pg. Цели. Определение значений ионной подвижности N-метилимидазола. Установление строения ионов, соответствующих характерным сигналам. Определение предела обнаружения N-метилимидазола на ионно-дрейфовом детекторе Кербер.Методы. Метод спектрометрии ионной подвижности был использован для исследования процессов ионизации. Энтальпии реакций мономерных и димерных ионов расчитаны в программе ORCA 4.1.1 методом функционала плотности B3LYP с набором базисных функций 6-31G(d,p).Результаты. Определены значения времени дрейфа и ионной подвижности N-метилимидазола. Разработана методика математической обработки спектров и программа для ее реализации. Изучены особенности изменения характера спектра ионной подвижности в процессе ...

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