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Sulphur Kβ emission spectra reveal protonation states of aqueous sulfuric acid
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Sulphur Kβ emission spectra reveal protonation states of aqueous sulfuric acid
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Journal Article
Sulphur Kβ emission spectra reveal protonation states of aqueous sulfuric acid
2016
Overview
In this paper we report an X-ray emission study of bulk aqueous sulfuric acid. Throughout the range of molarities from 1 M to 18 M the sulfur Kβ emission spectra from H
2
SO
4
(aq) depend on the molar fractions and related deprotonation of H
2
SO
4
. We compare the experimental results with results from emission spectrum calculations based on atomic structures of single molecules and structures from
ab initio
molecular dynamics simulations. We show that the S Kβ emission spectrum is a sensitive probe of the protonation state of the acid molecules. Using non-negative matrix factorization we are able to extract the fractions of different protonation states in the spectra and the results are in good agreement with the simulation for the higher part of the concentration range.
Publisher
Nature Publishing Group UK,Nature Publishing Group
Subject
