Carbon Dioxide Interaction with a Series of Ionic Liquids Consisting of Fluorophenyltrifluoroborate Anions Studied by in situ ATR-FTIR Spectroscopy | Sciact - CRIS-система Института катализа

Carbon Dioxide Interaction with a Series of Ionic Liquids Consisting of Fluorophenyltrifluoroborate Anions Studied by in situ ATR-FTIR Spectroscopy Научная публикация

Журнал

Journal of Molecular Liquids
ISSN: 0167-7322 , E-ISSN: 1873-3166

Вых. Данные

Год: 2024, Том: 407, Номер статьи : 125169, Страниц : 9 DOI: 10.1016/j.molliq.2024.125169

Ключевые слова

Ionic liquids; Fluorinated ionic liquids; ATR-FTIR spectroscopy; High-pressure CO2; Carbon dioxide

Авторы

Shalygin Anton S. ¹ , Shubin Aleksandr A. ² , Prikhod’ko Sergei A. ³ , Adonin Nikolai Yu. ³

Организации

1	Zelinsky Institute of Organic Chemistry RAS, Leninsky Pr. 47, Moscow, 119991, Russia
2	Institute of Solid State Chemistry and Mechanochemistry SB RAS, Kutateladze 18, Novosibirsk,630090, Russia
3	Boreskov Institute of Catalysis SB RAS, Lavrentieva Pr. 5, Novosibirsk, 630090, Russia

Fluorinated ionic liquids have new and unique properties by combining the properties of highly fluorinated compounds and ionic liquids. In this work, the interaction of CO2 with ionic liquids containing fluorophenyltrifluoroborate anions ([BMIM][C6H5BF3], [BMIM][4-F-C6H4BF3], [BMIM][C6F5BF3], [BMIM][4-BuO-C6F4BF3]) has been studied for the first time using high-pressure in situ ATR-FTIR spectroscopy. Analysis of the IR spectra of ionic liquids recorded under CO2 pressure showed disaggregation of alkyl groups and a slight decrease in cation–anion interaction, based on the appearance of a blue shift of absorption bands characteristic of stretching vibrations of CH bonds in alkyl groups, aromatic and imidazolium rings. It was found that fluorination of the phenyl group and introduction of a butoxy group significantly increased the solubility of CO2. The enthalpy and entropy of CO2 dissolution also increase with the increase of fluorine atoms in the anion. Theoretical calculations using the DFT method also showed an increase in the energy of interaction of CO2 with ionic liquids with an increase in the number of fluorine atoms. The use of an independent gradient model based on Hirshfeld partition (IGMH) analysis allowed the patterns of splitting of the CO2 bending ν2 mode to be explained. It was found that in this series of ionic liquids, the degree of the splitting of the CO2 bending mode depends on the contributions of the CO2 atoms to the interaction with the ionic liquid, rather than on the interaction energy.

Shalygin A.S. , Shubin A.A. , Prikhod’ko S.A. , Adonin N.Y.
Carbon Dioxide Interaction with a Series of Ionic Liquids Consisting of Fluorophenyltrifluoroborate Anions Studied by in situ ATR-FTIR Spectroscopy
Journal of Molecular Liquids. 2024. V.407. 125169 :1-9. DOI: 10.1016/j.molliq.2024.125169 WOS Scopus РИНЦ CAPlus OpenAlex

Поступила в редакцию:	25 мар. 2024 г.
Принята к публикации:	31 мая 2024 г.
Опубликована online:	31 мая 2024 г.
Опубликована в печати:	1 авг. 2024 г.

Web of science:	WOS:001251485200001
Scopus:	2-s2.0-85195202718
РИНЦ:	68553804
Chemical Abstracts:	2024:1272795
OpenAlex:	W4399268564

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