2021
DOI: 10.1039/d0cy02459g
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Boosting the performance by the water solvation shell with hydrogen bonds on protonic ionic liquids: insights into the acid catalysis of the glycosidic bond

Abstract: Hydrogen-bonding (HB) induced by water solvation shell is vital in the chemical and biological systems. Herein, HBs related to the binding behavior of protonic ionic liquids (PIL) with water molecules...

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Cited by 5 publications
(7 citation statements)
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“…Without enough solvent molecules, this proton could be transferred to the crystalline layer of O c before protonation. Yet, in the real case with abundant solvent molecules, this proton would come from the solvated hydronium in aqueous phase, just like the simulation in our previous report . As shown in Figure a, the glucose adsorption behaved quite differently on the 3H V and on the 4H site.…”
Section: Resultsmentioning
confidence: 49%
See 1 more Smart Citation
“…Without enough solvent molecules, this proton could be transferred to the crystalline layer of O c before protonation. Yet, in the real case with abundant solvent molecules, this proton would come from the solvated hydronium in aqueous phase, just like the simulation in our previous report . As shown in Figure a, the glucose adsorption behaved quite differently on the 3H V and on the 4H site.…”
Section: Resultsmentioning
confidence: 49%
“…Yet, in the real case with abundant solvent molecules, this proton would come from the solvated hydronium in aqueous phase, just like the simulation in our previous report. 59 As shown in Figure 9a, the glucose adsorption behaved quite differently on the 3H V and on the 4H site. For [IL] 4 [PMo 11 V 1 O 40 ], the glucose adsorption on the 3H V site suffered the high energy barrier of 1.34 eV.…”
Section: Selectivity Of Product (%) (Carbon Atoms Of Product ) (Carbo...mentioning
confidence: 91%
“…Meanwhile, due to the low volatility and the hard separation of the oxygen-containing chemicals, catalytic reactions of biomass often occur at the solid/liquid interface in various solutions, especially in water. , It has been known that water molecules could play critical roles in catalytic reactions. For example, the solvent water could slightly change the electronic properties of the supported metal cluster, modify the solvent–shell-mediated dynamics, facilitate the catalytic proton transfer steps, and stabilize the intermediates with hydrogen bonds. , However, when it comes to the aldehyde hydrogenation by M/TiO 2– x in aqueous phase, how the solvent water mechanically influences the catalytic cycle is still unclear. In addition, could the Ov have a decisive impact on the metal catalysts in aqueous phase like that in gas phase?…”
Section: Introductionmentioning
confidence: 99%
“… 30 , 31 It has been known that water molecules could play critical roles in catalytic reactions. For example, the solvent water could slightly change the electronic properties of the supported metal cluster, 32 modify the solvent–shell-mediated dynamics, 33 facilitate the catalytic proton transfer steps, 34 and stabilize the intermediates with hydrogen bonds. 33 , 35 37 However, when it comes to the aldehyde hydrogenation by M/TiO 2– x in aqueous phase, how the solvent water mechanically influences the catalytic cycle is still unclear.…”
Section: Introductionmentioning
confidence: 99%
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