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CO2 Aggregation on Monoethanolamine: Observations from Rotational Spectroscopy
Authors:Dr Fan Xie  Dr Wenhao Sun  Dr Pablo Pinacho  Prof?Dr Melanie Schnell
Institution:Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany
Abstract:The initial stages of the gas-phase nucleation between CO2 and monoethanolamine were investigated via broadband rotational spectroscopy with the aid of extensive theoretical structure sampling. Sub-nanometer-scale aggregation patterns of monoethanolamine-(CO2)n, n=1–4, were identified. An interesting competition between the monoethanolamine intramolecular hydrogen bond and the intermolecular interactions between monoethanolamine and CO2 upon cluster growth was discovered, revealing an intriguing CO2 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 CO2 tetramer was observed cooperatively surrounding the monoethanolamine. As the cluster approaches the critical size of new particle formation, the contribution of CO2 self-assembly to the overall stability increases.
Keywords:Aerosol Formation  CO2 Complexes  Molecular Interactions  Rotational Spectroscopy
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