Partially and fully deprotonated sulfuric acid in H2SO 4(H2O)n (n=6-9) clusters

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  • University of Oulu


We have studied the deprotonation of sulfuric acid in small water clusters containing up to nine water molecules. Our main interest was to find out if the sulfuric acid can be completely deprotonated in such small clusters. Our results show that the fully deprotonated clusters are energetically very close to the partially deprotonated clusters. Thus, in clusters containing eight or more waters the sulfuric acid can be completely deprotonated.


Original languageEnglish
Pages (from-to)307-313
Number of pages7
JournalChemical Physics Letters
Issue number4-6
Publication statusPublished - 1 Jun 2004
MoE publication typeA1 Journal article-refereed

ID: 5460762