Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 901, Issue 1-3, Pages 169-173Publisher
ELSEVIER
DOI: 10.1016/j.theochem.2009.01.024
Keywords
Nucleation; Sign preference; Atmospheric chemistry; Sulfuric acid; Ion clusters
Categories
Funding
- Scientific Computing Center (CSC) in Espoo, Finland
- 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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