Partially and fully deprotonated sulfuric acid in H2SO 4(H2O)n (n=6-9) clusters
Research output: Contribution to journal › Article
- 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.
|Number of pages||7|
|Journal||Chemical Physics Letters|
|Publication status||Published - 1 Jun 2004|
|MoE publication type||A1 Journal article-refereed|