2018
DOI: 10.1002/chem.201801631
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Formation and Extractive Desulfurization Mechanisms of Aromatic Acid Based Deep Eutectic Solvents: An Experimental and Theoretical Study

Abstract: The formation and extractive desulfurization (EDS) mechanisms of aromatic acid based deep eutectic solvents (DESs) were studied experimentally and through quantum chemistry calculations. Hydrogen bonding and van der Waals forces were investigated as the driving forces for the formation of aromatic acid based DESs by means of H NMR and FTIR spectroscopy, and DFT calculations. The driving forces of EDS were also studied. The results showed that van der Waals forces and other weak interactions were the main divin… Show more

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Cited by 65 publications
(29 citation statements)
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“…Also, the viscosity of all of the [Car][Tau] ILs decreased with an increase in temperature (Figure 2b and Table S1). A similar trend was observed in the density results (Figure 2c,d 29,30 Excitingly, the Kamlet−Taft parameter of the ILs was also affected by temperature. It can be observed from Figure 2f that the polarization parameters π* and β decreased with an increase in temperature.…”
Section: ■ Experimental Sectionsupporting
confidence: 84%
See 1 more Smart Citation
“…Also, the viscosity of all of the [Car][Tau] ILs decreased with an increase in temperature (Figure 2b and Table S1). A similar trend was observed in the density results (Figure 2c,d 29,30 Excitingly, the Kamlet−Taft parameter of the ILs was also affected by temperature. It can be observed from Figure 2f that the polarization parameters π* and β decreased with an increase in temperature.…”
Section: ■ Experimental Sectionsupporting
confidence: 84%
“…For the [Car]­[Tau] ILs, another Kamlet–Taft solvation discoloration parameter, bipolar/polarizability (π*) was also obtained, showing a relatively high value (1.2). Considering that polar molecular solvents usually have high π* values, these [Car]­[Tau] ILs showed a greatly enhanced affinity for weakly polar bioactive compounds. , Excitingly, the Kamlet–Taft parameter of the ILs was also affected by temperature. It can be observed from Figure f that the polarization parameters π* and β decreased with an increase in temperature.…”
Section: Resultsmentioning
confidence: 99%
“…Figure 1 i, j and S11 reveal the electron density of LB system by ESP analysis. The mutual attraction between the negatively electronegativity region of BL around the oxygen atoms and the positively charged regions around Li + leads to the formation of a stable structure [ 56 ].…”
Section: Resultsmentioning
confidence: 99%
“…The depression in the melting point is related to the interaction between the DES components that prevents the crystallization of the mixture (Meng et al 2016). The hydrogen bonding appears to be the main interaction mode between the DES components, whereas the influence of other interactions, such as the van der Waals forces, cannot be excluded (Zhao et al 2018). Although external solvents can be used to prepare DESs, they can be obtained readily in solventfree conditions by heating at a temperature that is lesser than the melting point of the individual components (Zhang et al 2012).…”
Section: Introductionmentioning
confidence: 99%