Density, viscosity, refractive index and molecular interaction of polyethylene glycol 400 + 1,3-propanediamine deep eutectic solvent for CO2 capture

Excess Properties, Computational Chemistry, and Spectral Analysis of [Diethanolamine + Alcohols (Ethanol, n-Propanol, or n-Butanol)] Ion-Like Liquids

“…The solution volume tended to swell with the increasing temperature, which was related to intermolecular interactions and loosening of molecular stacking, where (DEA + n -butanol) ion-like liquids change differently because the intermolecular interactions between DEA and n -butanol are weak. With the addition of DEA, α p values tended to decrease, which was due to the increase in density due to the decrease in the free volume of the mixed solution and the increase in intermolecular interactions …”

“…From Figure , the UV–vis absorption peak of the alcohol hydroxyl group can be observed at 199 nm. This is because there are lone-pair electrons on the O atom of alcohol molecules, the energy of lone-pair electrons is high, and the energy difference of the transition from nonbonding electrons to antibonding orbitals is low, so it is related to the n → σ* electron transition. , With the continuous addition of DEA, the maximum absorption wavelengths are redshifted to 214, 214, and 218 nm, which is attributed to the destruction of the self-associating HB of alcohol molecules and the formation of new HBs on amino N atoms. The influence of H atom on the oxygen atom in the alcohol hydroxyl group was weakened, and the energy required for the n → σ* electron leap to occur was reduced, so the absorption wavelength increased.…”

“…According to the molar volume of pure components and V m E values of [DEA (1) + alcohols (ethanol, n -propanol, or n -butanol) (2)] ion-like liquids, the corresponding partial molar volume can be obtained by eqs and V 1 0em ̅ = V normalm normalE + V 1 0 + ( 1 − x 1 ) true( ∂ V normalm normalE ∂ x 1 true) normalP , T V 2 0em ̅ = V normalm normalE + V 2 0 − x 1 true( ∂ V normalm normalE ∂ x 1 true) normalP , T where V 1 0 and V 2 0 refer to the molar volume of DEA and different alcohols (ethanol, n -propanol, or n -butanol).…”

“…This is because there are lone-pair electrons on the O atom of alcohol molecules, the energy of lone-pair electrons is high, and the energy difference of the transition from nonbonding electrons to antibonding orbitals is low, so it is related to the n → σ* electron transition. 32,88 With the continuous addition of DEA, the maximum absorption wavelengths are redshifted to 214, 214, and 218 nm, which is for the n → σ* electron leap to occur was reduced, so the absorption wavelength increased. Therefore, it can be presumed that IHBs were formed between ion-like liquids in the form of CH 3 (CH 2 ) n OH•••NH.…”

Volumetric, Viscometric, Acoustic, and Optical Properties of Ternary Liquid Mixtures Containing 1-Propanol, 1,3-Diaminopropane, and Methyl Acetate at Temperatures of 298.15–318.15 K

“…(27) where V T is the available volume at temperature T. (28) where r represents the molecular radius, which has been calculated using Schaaff's 59 relation. (31) (32) where b' is the van der Waals constant. All of the terms used in these equations are described in earlier reports.…”