Connecting chloride solvation with hydration in deep eutectic systems

被引：42

作者：

Di Pietro, Maria Enrica ^{[1
]}

Hammond, Oliver ^{[2
,3
]}

van den Bruinhorst, Adriaan ^{[2
,3
]}

Mannu, Alberto ^{[4
]}

Padua, Agilio ^{[2
,3
]}

Mele, Andrea ^{[1
,5
]}

Costa Gomes, Margarida ^{[2
,3
]}

机构：

[1] Politecn Milan, Dept Chem Mat & Chem Engn G Natta, Piazza L da Vinci 32, I-20133 Milan, Italy

[2] Ecole Normale Super Lyon, 46 Allee Italie, F-69364 Lyon 07, France

[3] CNRS, Lab Chim, 46 Allee Italie, F-69364 Lyon 07, France

[4] Univ Torino, Dept Chem, Via P Giuria 7, I-10125 Turin, Italy

[5] CNR, SCITEC Ist Sci & Tecnol Chim, Via A Corti 12, I-20133 Milan, Italy

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2021年 / 23卷 / 01期

关键词：

SOLVENT CHOLINE CHLORIDE/UREA; IONIC LIQUIDS; MOLECULAR-DYNAMICS; AQUEOUS DILUTIONS; NMR-SPECTROSCOPY; WATER; RELINE; MIXTURES; NANOSTRUCTURE; BRILLOUIN;

D O I：

10.1039/d0cp05843b

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The Deep Eutectic Solvents/Systems (DESs) choline chloride:urea (x(ChCl) = 0.33) and choline chloride:glycolic acid (x(ChCl) = 0.5) were investigated using viscosity-corrected Cl-35 NMR spectroscopy and molecular dynamics simulations to probe the role of chloride as a function of water content. Three Cl- solvation regimes are revealed, with high-symmetry environments for pure and highly dilute DES, and an unusual low-symmetry interstitial region where the primary coordination sphere is most disordered.

引用

页码：107 / 111

页数：5

共 60 条

[1] Abbott A, 2018, FARADAY DISCUSS, V206, P405, DOI [10.1039/c7fd90093g, 10.1039/C7FD90093G]
[2] Densities, Viscosities, and Electrical Conductivities of Pure Anhydrous Reline and Its Mixtures with Water in the Temperature Range (293.15 to 338.15) K
Agieienko, Vira
Buchner, Richard
[J]. JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2019, 64 (11) : 4763 - 4774
[3] Deep eutectic-water binary solvent associations investigated by vibrational spectroscopy and chemometrics
Ahmadi, R.
Hemmateenejad, B.
Safavi, A.
Shojaeifard, Z.
Shahsavar, A.
Mohajeri, A.
Dokoohaki, M. Heydari
Zolghadr, A. R.
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 20 (27) : 18463 - 18473
[4] Akitt J. W, 1987, MULTINUCLEAR NMR, P447, DOI 10.1007/ 978-1-4613-1783-8_17
[5] Inelastic neutron scattering study of reline: shedding light on the hydrogen bonding network of deep eutectic solvents
Araujo, C. F.
Coutinho, J. A. P.
Nolasco, M. M.
Parker, S. F.
Ribeiro-Claro, P. J. A.
Rudic, S.
Soares, B. I. G.
Vaz, P. D.
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (27) : 17998 - 18009
[6] Doubly ionic hydrogen bond interactions within the choline chloride-urea deep eutectic solvent
Ashworth, Claire R.
Matthews, Richard P.
Welton, Tom
Hunt, Patricia A.
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (27) : 18145 - 18160
[7] High-field chlorine NMR spectroscopy of solid organic hydrochloride salts: A sensitive probe of hydrogen bonding environment
Bryce, DL
Gee, M
Wasylishen, RE
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (45) : 10413 - 10421
[8] Structural, Thermodynamic, and Transport Properties of Aqueous Reline and Ethaline Solutions from Molecular Dynamics Simulations
Celebi, Alper T.
Vlugt, Thijs J. H.
Moultos, Othonas A.
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 123 (51) : 11014 - 11025
[9] Solid-state NMR of quadrupolar halogen nuclei
Chapman, Rebecca P.
Widdifield, Cory M.
Bryce, David L.
[J]. PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 2009, 55 (03) : 215 - 237
[10] Water absorption by deep eutectic solvents
Chen, Yu
Yu, Dongkun
Chen, Wenjun
Fu, Li
Mu, Tiancheng
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 21 (05) : 2601 - 2610

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