Abstract
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.
Highlights
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
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)
The characteristic signal of the N-methylimidazole ion protonated at the nitrogen atom of the pyridine type was revealed
Summary
Определение предела обнаружения N-метилимидазола на ионно-дрейфовом детекторе Кербер. Метод спектрометрии ионной подвижности был использован для исследования процессов ионизации. Определены значения времени дрейфа и ионной подвижности N-метилимидазола. Изучены особенности изменения характера спектра ионной подвижности в процессе измерения в данный момент времени. Выявлен характеристический сигнал иона N-метилимидазола, протонированного по атому азота пиридинового типа. Установлено, что два сигнала в спектрах ионной подвижности N-метилимидазола соответствуют наличию мономерной и димерной формы ионов. Определен предел обнаружения N-метилимидазола на ионно-дрейфовом детекторе Кербер, составляющий 3 пг. Ключевые слова: спектрометрия ионной подвижности, характеристический сигнал, протонирование, гетероциклические соединения азота, пиридин, имидазол, N-метилимидазол. Для цитирования: Александрова Д.А., Меламед Т.Б., Баберкина Е.П., Фенин А.А., Осинова Е.С., Коваленко А.Е., Якушин Р.В., Шалтаева Ю.Р., Беляков В.В., Зыкова Д.И. Спектрометрия ионной подвижности N-метилимидазола и возможности его определения.
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