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Can electric fields drive chemistry for an aqueous microdroplet?

Nature communications, 2022-01, Vol.13 (1), p.280-280, Article 280 [Peer Reviewed Journal]

2022. The Author(s). ;The Author(s) 2022. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;The Author(s) 2022 ;ISSN: 2041-1723 ;EISSN: 2041-1723 ;DOI: 10.1038/s41467-021-27941-x ;PMID: 35022410

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  • Title:
    Can electric fields drive chemistry for an aqueous microdroplet?
  • Author: Hao, Hongxia ; Leven, Itai ; Head-Gordon, Teresa
  • Subjects: Acceleration ; Air-water interface ; Bonding strength ; Chemical bonds ; Chemical reactions ; Droplets ; Electric fields ; Solvents ; Water drops
  • Is Part Of: Nature communications, 2022-01, Vol.13 (1), p.280-280, Article 280
  • Description: Reaction rates of common organic reactions have been reported to increase by one to six orders of magnitude in aqueous microdroplets compared to bulk solution, but the reasons for the rate acceleration are poorly understood. Using a coarse-grained electron model that describes structural organization and electron densities for water droplets without the expense of ab initio methods, we investigate the electric field distributions at the air-water interface to understand the origin of surface reactivity. We find that electric field alignments along free O-H bonds at the surface are ~16 MV/cm larger on average than that found for O-H bonds in the interior of the water droplet. Furthermore, electric field distributions can be an order of magnitude larger than the average due to non-linear coupling of intramolecular solvent polarization with intermolecular solvent modes which may contribute to even greater surface reactivity for weakening or breaking chemical bonds at the droplet surface.
  • Publisher: England: Nature Publishing Group
  • Language: English
  • Identifier: ISSN: 2041-1723
    EISSN: 2041-1723
    DOI: 10.1038/s41467-021-27941-x
    PMID: 35022410
  • Source: PubMed Central
    ProQuest Central
    DOAJ Directory of Open Access Journals
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