Title :

Non-Ideality in Thymol + Menthol Type V Deep Eutectic Solvents

Author(s) :

Schaeffer, Nicolas [Auteur]
Universidade de Aveiro
Abranches, Dinis O. [Auteur]
Universidade de Aveiro
Silva, Liliana P. [Auteur]
Universidade de Aveiro
Martins, Mónia A.R. [Auteur]
Universidade de Aveiro
Carvalho, Pedro J. [Auteur]
Universidade de Aveiro
Russina, Olga [Auteur]
Università degli Studi di Roma "La Sapienza" = Sapienza University [Rome] [UNIROMA]
Istituto di Struttura della Materia [CNR-ISM]
Triolo, Alessandro [Auteur]
Istituto di Struttura della Materia [CNR-ISM]
Paccou, Laurent [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Guinet, Yannick [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Hedoux, Alain [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Coutinho, João A.P. [Auteur]
Universidade de Aveiro

Journal title :

ACS Sustainable Chemistry & Engineering

Volume number :

9

Pages :

2203-2211

Publisher :

ACS Publications

Publication date :

2021-01-28

ISSN :

2168-0485

English keyword(s) :

Alternative solvent
Characterization
Hydrogen-bonding
Temperature dependent
Nonionic eutectic solvent

HAL domain(s) :

Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Physique [physics]/Matière Condensée [cond-mat]/Matière Molle [cond-mat.soft]
Physique [physics]/Matière Condensée [cond-mat]/Systèmes désordonnés et réseaux de neurones [cond-mat.dis-nn]

English abstract : [en]

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. 1H NMR, ...
Show more >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. 1H 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.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
CNRS
INRA
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Research team(s) :

Matériaux Moléculaires et Thérapeutiques

Submission date :

2022-01-28T08:37:29Z
2022-01-29T15:23:55Z