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

Chang Geng Ding; Kari Laasonen

doi:10.1016/j.cplett.2004.02.112

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

Not published at Aalto University

University of Oulu

Research output: Contribution to journal › Article › Scientific › peer-review

40 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 language	English
Pages (from-to)	307-313
Number of pages	7
Journal	Chemical Physics Letters
Volume	390
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2004.02.112
Publication status	Published - 1 Jun 2004
MoE publication type	A1 Journal article-refereed

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10.1016/j.cplett.2004.02.112

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

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.",

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AU - Laasonen, Kari

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Y1 - 2004/6/1

N2 - 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.

AB - 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.

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DO - 10.1016/j.cplett.2004.02.112

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VL - 390

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EP - 313

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-6

ER -

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

Abstract

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