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

Chang Geng Ding, Kari Laasonen*

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

34 Citations (Scopus)

Abstract

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
Volume390
Issue number4-6
DOIs
Publication statusPublished - 1 Jun 2004
MoE publication typeA1 Journal article-refereed

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