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Table 1 Deep eutectic solvents synthesized in this study

From: Facilely reducing recalcitrance of lignocellulosic biomass by a newly developed ethylamine-based deep eutectic solvent for biobutanol fermentation

DES

Ratio of HBA to HBD

\(\Delta G_{{{\text{rxn}}}}^{{{\text{B3LYP}}}}\) (kcal mol−1)

\(\Delta G_{{{\text{rxn}}}}^{{{\text{M}}0{\text{62X}}}}\) (kcal mol−1)

\(\Delta G_{{{\text{rxn}}}}^{{\upomega {\text{B}}97{\text{XD}}}}\) (kcal mol−1)

ChCl:UR

1:2

− 2.54

− 6.39

− 6.50

ChCl:EG

1:2

− 2.84

− 7.15

− 6.55

ChCl:GLY

1:2

− 2.27

− 2.86

− 2.58

ChCl:LAC

1:1

− 8.96

− 10.3

− 9.95

BaCl:UR

1:2

3.59

− 10.8

− 0.54

BaCl:EG

1:2

− 1.42

− 11.2

− 7.15

BaCl:GLY

1:2

− 1.21

− 9.88

− 1.73

BaCl:LAC

1:1

1.03

− 4.92

− 3.23

EaCl:UR

1:2

− 2.25

− 4.55

− 3.80

EaCl:EG

1:2

− 1.62

− 4.21

− 1.73

EaCl:GLY

1:2

− 2.38

− 4.19

− 3.31

EaCl:LAC

1:1

− 4.67

− 7.94

− 8.23

  1. ChCl choline chloride, BaCl betaine chloride, EaCl ethylamine chloride, UR urea, EG ethylene glycol, GLY glycine, LAC lactic acid