The Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process

A multi-technique approach based on Knudsen effusion mass spectrometry, gas phase chromatography, mass spectrometry, NMR and IR spectroscopy, thermal analysis, and quantum-chemical calculations was used to study the evaporation of 1-butyl-3-methylimidazolium tetrafluoroborate (BMImBF<sub>4<...

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Autores principales:	Anatoliy M. Dunaev, Vladimir B. Motalov, Lev S. Kudin
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	ionic liquids imidazolium Knudsen effusion mass spectrometry vapor composition ylidene imidazole Science Q Astrophysics QB460-466 Physics QC1-999
Acceso en línea:	https://doaj.org/article/da6e7ca1372b4b7db089314f2557b9cb
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spelling	oai:doaj.org-article:da6e7ca1372b4b7db089314f2557b9cb2021-11-25T17:29:58ZThe Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process10.3390/e231114781099-4300https://doaj.org/article/da6e7ca1372b4b7db089314f2557b9cb2021-11-01T00:00:00Zhttps://www.mdpi.com/1099-4300/23/11/1478https://doaj.org/toc/1099-4300A multi-technique approach based on Knudsen effusion mass spectrometry, gas phase chromatography, mass spectrometry, NMR and IR spectroscopy, thermal analysis, and quantum-chemical calculations was used to study the evaporation of 1-butyl-3-methylimidazolium tetrafluoroborate (BMImBF<sub>4</sub>). The saturated vapor over BMImBF<sub>4</sub> was shown to have a complex composition which consisted of the neutral ion pairs (NIPs) [BMIm<sup>+</sup>][BF<sub>4</sub><sup>−</sup>], imidazole-2-ylidene C<sub>8</sub>N<sub>2</sub>H<sub>14</sub>BF<sub>3</sub>, 1-methylimidazole C<sub>4</sub>N<sub>2</sub>H<sub>6</sub>, 1-butene C<sub>4</sub>H<sub>8</sub>, hydrogen fluoride HF, and boron trifluoride BF<sub>3</sub>. The vapor composition strongly depends on the evaporation conditions, shifting from congruent evaporation in the form of NIP under Langmuir conditions (open surface) to primary evaporation in the form of decomposition products under equilibrium conditions (Knudsen cell). Decomposition into imidazole-2-ylidene and HF is preferred. The vapor composition of BMImBF<sub>4</sub> is temperature-depended as well: the fraction ratio of [BMIm<sup>+</sup>][BF<sub>4</sub><sup>−</sup>] NIPs to decomposition products decreased by about a factor of three in the temperature range from 450 K to 510 K.Anatoliy M. DunaevVladimir B. MotalovLev S. KudinMDPI AGarticleionic liquidsimidazoliumKnudsen effusion mass spectrometryvapor compositionylideneimidazoleScienceQAstrophysicsQB460-466PhysicsQC1-999ENEntropy, Vol 23, Iss 1478, p 1478 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	ionic liquids imidazolium Knudsen effusion mass spectrometry vapor composition ylidene imidazole Science Q Astrophysics QB460-466 Physics QC1-999
spellingShingle	ionic liquids imidazolium Knudsen effusion mass spectrometry vapor composition ylidene imidazole Science Q Astrophysics QB460-466 Physics QC1-999 Anatoliy M. Dunaev Vladimir B. Motalov Lev S. Kudin The Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process
description	A multi-technique approach based on Knudsen effusion mass spectrometry, gas phase chromatography, mass spectrometry, NMR and IR spectroscopy, thermal analysis, and quantum-chemical calculations was used to study the evaporation of 1-butyl-3-methylimidazolium tetrafluoroborate (BMImBF<sub>4</sub>). The saturated vapor over BMImBF<sub>4</sub> was shown to have a complex composition which consisted of the neutral ion pairs (NIPs) [BMIm<sup>+</sup>][BF<sub>4</sub><sup>−</sup>], imidazole-2-ylidene C<sub>8</sub>N<sub>2</sub>H<sub>14</sub>BF<sub>3</sub>, 1-methylimidazole C<sub>4</sub>N<sub>2</sub>H<sub>6</sub>, 1-butene C<sub>4</sub>H<sub>8</sub>, hydrogen fluoride HF, and boron trifluoride BF<sub>3</sub>. The vapor composition strongly depends on the evaporation conditions, shifting from congruent evaporation in the form of NIP under Langmuir conditions (open surface) to primary evaporation in the form of decomposition products under equilibrium conditions (Knudsen cell). Decomposition into imidazole-2-ylidene and HF is preferred. The vapor composition of BMImBF<sub>4</sub> is temperature-depended as well: the fraction ratio of [BMIm<sup>+</sup>][BF<sub>4</sub><sup>−</sup>] NIPs to decomposition products decreased by about a factor of three in the temperature range from 450 K to 510 K.
format	article
author	Anatoliy M. Dunaev Vladimir B. Motalov Lev S. Kudin
author_facet	Anatoliy M. Dunaev Vladimir B. Motalov Lev S. Kudin
author_sort	Anatoliy M. Dunaev
title	The Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process
title_short	The Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process
title_full	The Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process
title_fullStr	The Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process
title_full_unstemmed	The Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process
title_sort	composition of saturated vapor over 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid: a multi-technique study of the vaporization process
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/da6e7ca1372b4b7db089314f2557b9cb
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The Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process

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