Amination of Five Families of Room-Temperature Ionic Liquids: Computational Thermodynamics and Vibrational Spectroscopy

Amination of Five Families of Room-Temperature Ionic Liquids: Computational Thermodynamics and Vibrational Spectroscopy

Author Chaban, Vitaly V. Autor UNIFESP Google Scholar
Andreeva, Nadezhda A. Google Scholar
Abstract The amino group is important to enhance carbon dioxide capture capabilities of substances, including room temperature ionic liquids (RTILs). We report thermodynamics of amination for five organic cations representing different families of RTILs (imidazolium, pyridinium, morpholinium, pyrrolidinium, pyrazolium) and compare all prospective amination sites. We conclude that amination of the cation ring is more favorable than amination of the side chains. Redistribution of electron density due to amination partially correlates with variation of enthalpy and Gibbs free energy, whereas entropic part is similar for all cations and all amination sites. Vibrational frequencies allow for easy distinguishing amination products from reactants and simplify identification of the reaction site (ring or side chain). Formation of strong hydrogen bonds between the amino group and the anions greatly favors amination of RTILs, compared to amination of benzene.
xmlui.dri2xhtml.METS-1.0.item-coverage Washington
Language English
Date 2016
Published in Journal Of Chemical And Engineering Data. Washington, v. 61, n. 5, p. 1917-1923, 2016.
ISSN 0021-9568 (Sherpa/Romeo, impact factor)
Publisher Amer Chemical Soc
Extent 1917-1923
Origin http://dx.doi.org/10.1021/acs.jced.6b00111
Access rights Closed access
Type Article
Web of Science ID WOS:000375969300026
URI https://repositorio.unifesp.br/handle/11600/55958

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