Abstract
The chemical absorption of CO2 in aqueous solutions of 2-(ethylamino)ethanol at 313 K was investigated by nuclear magnetic resonance (NMR) spectroscopy. Accurate 13C NMR quantitation by inverse-gated decoupling was achieved on the basis of 13C spin–lattice relaxation time measurements for all species in the system. The concentration of carbonate species (HCO3–/CO32–) monotonically increased with increasing CO2 loading, whereas that of carbamate anion [CH3CH2N(CH2CH2OH)COO–] showed a peak around 0.5 mol of CO2/mol of amine. Furthermore, we found that alkyl carbonate species (CH3CH2NHCH2CH2OCOO–) formed in the high-CO2 loading range, which was confirmed by 2D NMR spectroscopy and density functional theory calculations with a dielectric continuum solvation model at the B3LYP/aug-cc-pVDZ//B3LYP/6-311++G(d,p) level.
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