Ion Mobility in Hydroxy-Functionalized Ionic Liquids Depends on Cationic Clustering: Tracking the Alkyl Chain Length Behavior with Deuteron NMR Relaxation | Sciact - CRIS-система Института катализа

Ion Mobility in Hydroxy-Functionalized Ionic Liquids Depends on Cationic Clustering: Tracking the Alkyl Chain Length Behavior with Deuteron NMR Relaxation Научная публикация

Журнал

The Journal of Physical Chemistry B
ISSN: 1520-6106 , E-ISSN: 1520-5207

Вых. Данные

Год: 2023, Том: 127, Номер: 43, Страницы: 9336–9345 Страниц : 10 DOI: 10.1021/acs.jpcb.3c05330

Авторы

Khudozhitkov Alexander E. ^1,2 , Stepanov Alexander G. ¹ , Kolokolov Daniil I. ^1,2 , Ludwig Ralf ^3,4

Организации

1	Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk 630090, Russia
2	Novosibirsk State University, Pirogova Street 2, Novosibirsk 630090, Russia
3	Department LL&M, University of Rostock, Albert-Einstein-Str. 25, 18059 Rostock, Germany
4	Leibniz-Institut für Katalyse an der Universität Rostock e.V., Albert-Einstein-Str. 29a, 18059 Rostock, Germany

Информация о финансировании (5)

1	Российский научный фонд	21-13-00047
2	German Research Foundation	LU 506/15 (401427621)
3	German Research Foundation	LU 506/14-2 (286149019)
4	Alexander von Humboldt Foundation
5	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	0239-2021-0003

Observing and quantifying the like-charge attraction in liquids and solutions is still challenging. However, we showed that elusive cation–cation hydrogen bonding may govern the structure and interaction in hydroxyl-functionalized ionic liquids. Therefore, cationic cluster formation depends on the shape, charge distribution, and functionality of the ions. We demonstrated by means of solid-state 2H NMR spectroscopy that cationic clusters change the structure and dynamics of ionic liquids. With increasing alkyl chain length, we observed two deuteron quadrupole coupling constants for the OD groups, differing by about 30 kHz. The lower value was assigned to the cation–cation interaction, indicating that the average (c–c) hydrogen bonds are stronger than the (c–a) hydrogen bonds between the cation and the anion despite the repulsive and attractive Coulomb interaction in the first and latter cases. Ion mobility could be studied by 2H NMR spectroscopy, although the deuterons in the hydrogen-bonded clusters underwent fast exchange. Our results also showed that simple relaxation models are not applicable anymore and that anisotropic motion must be considered.

Khudozhitkov A.E. , Stepanov A.G. , Kolokolov D.I. , Ludwig R.
Ion Mobility in Hydroxy-Functionalized Ionic Liquids Depends on Cationic Clustering: Tracking the Alkyl Chain Length Behavior with Deuteron NMR Relaxation
The Journal of Physical Chemistry B. 2023. V.127. N43. P.9336–9345. DOI: 10.1021/acs.jpcb.3c05330 WOS Scopus РИНЦ CAPlus PMID OpenAlex

Поступила в редакцию:	7 авг. 2023 г.
Принята к публикации:	24 сент. 2023 г.
Опубликована online:	19 окт. 2023 г.
Опубликована в печати:	2 нояб. 2023 г.

Web of science:	WOS:001096330800001
Scopus:	2-s2.0-85175878316
РИНЦ:	55291189
Chemical Abstracts:	2023:2148272
PMID (PubMed):	37857325
OpenAlex:	W4387769163

БД	Цитирований
OpenAlex	5
Scopus	6
Web of science	5
РИНЦ	3