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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MIREA - Russian Technological University
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ftdoajarticles:oai:doaj.org/article:227edbdbf4de48e6bde4a01c7dab2ef6 2023-05-15T17:53:52+02:00 Ion mobility spectrometry of N -methylimidazole and possibilities of its determination 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 2022-01-01T00:00:00Z https://doi.org/10.32362/2410-6593-2021-16-6-512-525 https://doaj.org/article/227edbdbf4de48e6bde4a01c7dab2ef6 RU rus MIREA - Russian Technological University https://www.finechem-mirea.ru/jour/article/view/1773 https://doaj.org/toc/2410-6593 https://doaj.org/toc/2686-7575 2410-6593 2686-7575 doi:10.32362/2410-6593-2021-16-6-512-525 https://doaj.org/article/227edbdbf4de48e6bde4a01c7dab2ef6 Тонкие химические технологии, Vol 16, Iss 6, Pp 512-525 (2022) ion mobility spectrometry (ims) characteristic signal protonation heterocyclic nitrogen compounds pyridine imidazole n-methylimidazole Chemistry QD1-999 article 2022 ftdoajarticles https://doi.org/10.32362/2410-6593-2021-16-6-512-525 2023-03-19T01:42:51Z 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. Article in Journal/Newspaper Orca Directory of Open Access Journals: DOAJ Articles Fine Chemical Technologies 16 6 512 525 |
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Directory of Open Access Journals: DOAJ Articles |
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Russian |
topic |
ion mobility spectrometry (ims) characteristic signal protonation heterocyclic nitrogen compounds pyridine imidazole n-methylimidazole Chemistry QD1-999 |
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ion mobility spectrometry (ims) characteristic signal protonation heterocyclic nitrogen compounds pyridine imidazole n-methylimidazole Chemistry QD1-999 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 Ion mobility spectrometry of N -methylimidazole and possibilities of its determination |
topic_facet |
ion mobility spectrometry (ims) characteristic signal protonation heterocyclic nitrogen compounds pyridine imidazole n-methylimidazole Chemistry QD1-999 |
description |
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. |
format |
Article in Journal/Newspaper |
author |
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 |
author_facet |
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 |
author_sort |
D. A. Aleksandrova |
title |
Ion mobility spectrometry of N -methylimidazole and possibilities of its determination |
title_short |
Ion mobility spectrometry of N -methylimidazole and possibilities of its determination |
title_full |
Ion mobility spectrometry of N -methylimidazole and possibilities of its determination |
title_fullStr |
Ion mobility spectrometry of N -methylimidazole and possibilities of its determination |
title_full_unstemmed |
Ion mobility spectrometry of N -methylimidazole and possibilities of its determination |
title_sort |
ion mobility spectrometry of n -methylimidazole and possibilities of its determination |
publisher |
MIREA - Russian Technological University |
publishDate |
2022 |
url |
https://doi.org/10.32362/2410-6593-2021-16-6-512-525 https://doaj.org/article/227edbdbf4de48e6bde4a01c7dab2ef6 |
genre |
Orca |
genre_facet |
Orca |
op_source |
Тонкие химические технологии, Vol 16, Iss 6, Pp 512-525 (2022) |
op_relation |
https://www.finechem-mirea.ru/jour/article/view/1773 https://doaj.org/toc/2410-6593 https://doaj.org/toc/2686-7575 2410-6593 2686-7575 doi:10.32362/2410-6593-2021-16-6-512-525 https://doaj.org/article/227edbdbf4de48e6bde4a01c7dab2ef6 |
op_doi |
https://doi.org/10.32362/2410-6593-2021-16-6-512-525 |
container_title |
Fine Chemical Technologies |
container_volume |
16 |
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6 |
container_start_page |
512 |
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525 |
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1766161578203283456 |