Relaxation of Electronically Excited Hydrogen Peroxide in Liquid Water: Insights from Auger-Electron Emission

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F13%3A43895775" target="_blank" >RIV/60461373:22340/13:43895775 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/jp401569w" target="_blank" >http://dx.doi.org/10.1021/jp401569w</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp401569w" target="_blank" >10.1021/jp401569w</a>

Result language
angličtina
Original language name
Relaxation of Electronically Excited Hydrogen Peroxide in Liquid Water: Insights from Auger-Electron Emission
Original language description
Autoionization electron spectroscopy is applied to study nonradiative relaxation processes of hydrogen peroxide aqueous solution irradiated by soft X-rays. The high kinetic energy part of the oxygen Is H2O2(aq) Auger-electron spectrum reveals dicationicfinal states with considerably lower energy than for neat liquid water. Assisted by quantum chemical calculations, it is argued that such lower-energy states arise from two fundamentally different relaxation processes. One is (local) Auger decay, yielding (H2O2)2+(aq) species, and here the low final-state energy arises from charge delocalization across the molecular O-O bond. Alternatively, nonlocal dicationic states can form, corresponding to a charge-separated complex comprising H2O2 and a neighboringwater molecule. Different charge-separation mechanisms, depending on whether or not proton dynamics of the core-level excited or ionized H2O2 molecule is involved, are discussed. We also present for the first time the partial electron yi
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/GA13-34168S" target="_blank" >GA13-34168S: Ab Initio Simulations of X-ray Initiated Photodynamics and Spectroscopy in Water Solutions</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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