Heat of mixing profile, complexation curve and spectroscopic investigation of binary mixtures containing bicyclic Bronsted superbase DBN with hydrogen ethanoate

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Driver , G W , Sprakel , L J M , Kilpelainen , I & Schuur , B 2021 , ' Heat of mixing profile, complexation curve and spectroscopic investigation of binary mixtures containing bicyclic Bronsted superbase DBN with hydrogen ethanoate ' , Journal of Chemical Thermodynamics , vol. 161 , 106516 . https://doi.org/10.1016/j.jct.2021.106516

Title: Heat of mixing profile, complexation curve and spectroscopic investigation of binary mixtures containing bicyclic Bronsted superbase DBN with hydrogen ethanoate
Author: Driver, Gordon W.; Sprakel, Lisette J. M.; Kilpelainen, Ilkka; Schuur, Boelo
Contributor: University of Helsinki, Department of Chemistry
University of Helsinki, Department of Chemistry
Date: 2021-10
Language: eng
Number of pages: 9
Belongs to series: Journal of Chemical Thermodynamics
ISSN: 0021-9614
URI: http://hdl.handle.net/10138/333935
Abstract: Isothermal titration calorimetry (ITC) experiments were performed for investigation of binary mixtures comprised of the Bronsted superbase DBN with hydrogen ethanoate (AcOH). The heat of mixing (H-E) profile was recorded at (343.15 +/- 0.1) K and fitted with a 5-parameter Redlich-Kister (RK) polynomial. RK fit parameters were subsequently used to quantify partial molar heats of mixing, x(i)H(i)(E), for each component i. ITC-based complexometric titration data for the binary mixtures were recorded separately in methyl isobutyl ketone (mibk) and dodecane, to investigate the energetics of non random clustering phenomena. Variable temperature H-1-NMR in combination with ATR-FTIR spectroscopic analyses were employed in parallel for elucidation and verification of liquid state ion speciation. These investigations reveal a strongly non ideal system, and indicate "superbase" character of DBN is preserved for specific compositions where stoichiometric ionic liquids (ILs) form. Available ion speciation has been found to include [DBN-H](+), [AcO] as well as mu 2 -hydrogen-bridged, hydrogen-bonded homoassociate anions, of the type [H(OAc)(2)], with double liquid salt formation characterising various compositions based on spectroscopic determinations. (C) 2021 The Authors. Published by Elsevier Ltd.
Subject: 116 Chemical sciences
Superbase
Heat of mixing
Ionic liquids
Isothermal titration calorimetry
Complexometric titration
Double liquid salt
ISOTHERMAL TITRATION CALORIMETRY
ACETIC-ACID
CARBOXYLIC-ACIDS
IONIC LIQUID
THERMODYNAMICS
EXTRACTION
THIOPHENOL
FLUORIDE
ACETATE
PHENOL
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