期刊
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
卷 9, 期 5, 页码 2203-2211出版社
AMER CHEMICAL SOC
DOI: 10.1021/acssuschemeng.0c07874
关键词
Alternative solvent; Characterization; Hydrogen-bonding; Temperature dependent; Nonionic eutectic solvent
资金
- Foundation for Science and Technology/MCTES [UIDB/50011/2020, UIDP/50011/2020]
- FEDER through COMPETE 2020 [022161]
- FEDER through POCI [022161]
- FEDER through PORL [022161]
- FCT through PIDDAC [022161]
- national funds (OE), through FCT-Fundacao para a Ciencia e a Tecnologia, I.P.
- University of Rome Sapienza [RG11715C7CC660BE]
The study reveals that nonionic Type V deep eutectic solvents exhibit significant temperature-dependent nonideality due to changes in intermolecular hydrogen bonding with temperature.
The nonionic Type V deep eutectic solvent (DESs) thymol + menthol is experimentally and computationally studied aiming to clarify the relation between its liquid phase structure and its thermodynamic nonideality. H-1 NMR, Raman, and X-ray scattering analysis of the thymol + menthol system, supported by molecular dynamics simulations, show complex intermolecular interactions dominated by sterically hindered H-bonded clusters. For temperatures greater than or equal to room temperature, a quasi-linear evolution of the eutectic system properties between the pure compounds is observed, suggesting the absence of a magic stoichiometric composition in the eutectic solvent. However, temperature dependent Raman spectroscopy indicates a notable increase in thymol-menthol H-bonding as temperatures approach the eutectic point. This study shows that nonionic Type V DESs present an important temperature-dependent nonideality originating from the change in the intermolecular H-bonding with temperature. These findings have significant implications for the design and growing application of Type V DESs.
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