4.0 Article

The sign preference in sulfuric acid nucleation

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 901, Issue 1-3, Pages 169-173

Publisher

ELSEVIER
DOI: 10.1016/j.theochem.2009.01.024

Keywords

Nucleation; Sign preference; Atmospheric chemistry; Sulfuric acid; Ion clusters

Funding

  1. Scientific Computing Center (CSC) in Espoo, Finland
  2. Academy of Finland

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The binding of sulfuric acid to a series of anions and cations of varying chemical complexity is studied using quantum chemical methods. Sulfuric acid is bound much more strongly to anions than cations, as expected from structural and general chemical considerations, and previous computational Studies on charged sulfuric acid-water clusters. The results are likely to explain the sign effect observed in atmospheric nucleation phenomena, and indicate that the first steps of ion-induced nucleation are controlled by the specific chemical interactions between the core ion and the condensing molecules rather than by general physical (e.g. electrostatic) effects. (C) 2009 Elsevier B.V. All rights reserved.

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