CO₂Aggregation on Monoethanolamine: Observations from Rotational Spectroscopy

Abstract

The initial stages of the gas-phase nucleation between CO 2 and monoethanolamine were investigated via broadband rotational spectroscopy with the aid of extensive theoretical structure sampling. Sub-nanometer-scale aggregation patterns of monoethanolamine-(CO 2 ) n , n = 1-4, were identified. An interesting competition between the monoethanolamine intramolecular hydrogen bond and the intermolecular interactions between monoethanolamine and CO 2 upon cluster growth was discovered, revealing an intriguing CO 2 binding priority to the hydroxyl group over the amine group. These findings are in sharp contrast to the general results for aqueous solutions. In the quinary complex, a cap-like CO 2 tetramer was observed cooperatively surrounding the monoethanolamine. As the cluster approaches the critical size of new particle formation, the contribution of CO 2 self-assembly to the overall stability increases.

Homochiral vs. heterochiral preference in chiral self-recognition of cyclic diols

“…The recently observed tunneling splitting present in one of the homo dimers of trans-CD should not be of concern for cis-PCD given the large structural changes relative to trans-CD that do not readily allow for a conversion between equivalent conformers. 64 The homochiral preference observed for cold cis-PCD contrasts to what was observed in trans-CD and cis-CD for which the predicted heterochiral preference is explained by the formation of an outstandingly stable heterochiral dimer that optimises the number of possible hydrogen bonds via a quadruple insertion structure. Due to…”

Water Arrangements upon Interaction with a Rigid Solute: Multiconfigurational Fenchone-(H2O)4–7Hydrates

“…Several spectroscopic techniques across the electromagnetic spectrum have been applied to these investigations including microwave rotational, terahertz vibration–rotation, infrared ion dip, and ultraviolet hole burning, among others. − Because of its high sensitivity to the spatial mass distribution, rotational spectroscopy has the unique advantage of being able to distinguish between close configurations (conformers and isomers), which makes it an extremely powerful technique for structural analysis. − The development of chirped pulse Fourier transform microwave (CP-FTMW) spectroscopy, with the capacity of recording large sections of the spectrum at once, has further advanced the study of microsolvated complexes, revealing a wealth of species produced in supersonic jets. Recent reports include complexes with a large number of isomers, such as limonene-(H 2 O) 1,2 , , aggregates of various sizes between difluoromethane and water, and complexes with a large number of water molecules, such as β-propiolactone-(H 2 O) 1–5 , 3-methylcatechol-(H 2 O) 1–5 , 3-methyl-3-oxetanemethanol-(H 2 O) 1–6 , glycolaldehyde-(H 2 O) 1–6 , benzaldehyde-(H 2 O) 1–6 , and ethanolamine-(H 2 O) 1–7 . Usually more than one isomer is observed for complexes with up to three waters.…”

Rational Fabrication of Benzene-Linked Porous Polymers for Selective CO2 Capture

“…Carbon capture and storage is considered a presumable technology that can separate CO 2 from fossil fuels, thereby reducing the increasing carbon dioxide emissions into the atmosphere. Generally speaking, the traditional method for removing CO 2 is the 'wet method', namely chemical adsorption, which uses liquid ammonia solutions, such as monoethanolamine [4][5][6], diethanolamine [7,8], and diisopropanolamine [9,10]. However, solvent absorption methods have the disadvantages of severe equipment corrosion, high regeneration energy consumption, and decreased absorption capacity.…”