Pregled bibliografske jedinice broj: 871423
Sulphur Kβ emission spectra reveal protonation states of aqueous sulfuric acid
Sulphur Kβ emission spectra reveal protonation states of aqueous sulfuric acid // Scientific Reports, 6 (2016), 21012-1 doi:10.1038/srep21012 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 871423 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Sulphur Kβ emission spectra reveal protonation states of aqueous sulfuric acid
Autori
Niskanen, Johannes ; Sahle, Christoph J. ; Ruotsalainen, Kari O. ; Müller, Harald ; Kavčič, Matjaž ; Žitnik, Matjaž ; Bučar, Klemen ; Petric, Marko ; Hakala, Mikko ; Huotari, Simo
Izvornik
Scientific Reports (2045-2322) 6
(2016);
21012-1
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Atmospheric chemistry, Electronic structure of atoms and molecules, Physical chemistry
Sažetak
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 H2SO4 (aq) depend on the molar fractions and related deprotonation of H2SO4. 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.
Izvorni jezik
Engleski
Znanstvena područja
Fizika, Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
- MEDLINE
