Does H4SO5 exist?

Murillo F.; Vargas-Caamal A.; Pan S.; Cabellos J.L.; Mora-Fonz M.J.; Muñoz-Castro A.; Restrepo A.; Merino G.

dc.contributor.author	Murillo F.
dc.contributor.author	Vargas-Caamal A.
dc.contributor.author	Pan S.
dc.contributor.author	Cabellos J.L.
dc.contributor.author	Mora-Fonz M.J.
dc.contributor.author	Muñoz-Castro A.
dc.contributor.author	Restrepo A.
dc.contributor.author	Merino G.
dc.date.accessioned	2020-09-02T22:24:12Z
dc.date.available	2020-09-02T22:24:12Z
dc.date.issued	2017
dc.identifier	10.1039/c7cp01328k
dc.identifier.citation	19, 26, 17088-17093
dc.identifier.issn	14639076
dc.identifier.uri	https://hdl.handle.net/20.500.12728/5537
dc.description	The possible existence of H4SO5 in aqueous sulfuric acid is analyzed in detail. For bare H4SO5, the computed free energy barrier for the exergonic transformation of H4SO5 into the H2SO4⋯H2O complex is only 3.8 kcal mol-1. The presence of water or sulfuric acid catalyzes the dehydration to such an extent that it becomes almost a barrierless process. In the gas phase, dehydration of H4SO5 is an autocatalytic reaction as the water molecule produced by the decomposition of one H4SO5 molecule induces further dissociation. Thus, in solution, the surrounding water molecules make the para-sulfuric acid a very vulnerable species to exist. The simulated Raman spectra also corroborate the absence of H4SO5 in solution. © 2017 the Owner Societies.
dc.language.iso	en
dc.publisher	Royal Society of Chemistry
dc.title	Does H4SO5 exist?
dc.type	Article