Ultrafast Proton and Electron Dynamics in Core-Ionized Hydrated Hydrogen Peroxide: Photoemission Measurements with Isotopically Substituted Hydrogen Peroxide

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F14%3A43897846" target="_blank" >RIV/60461373:22340/14:43897846 - isvavai.cz</a>

Výsledek na webu

<a href="http://pubs.acs.org/doi/full/10.1021/jp504707h" target="_blank" >http://pubs.acs.org/doi/full/10.1021/jp504707h</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jp504707h" target="_blank" >10.1021/jp504707h</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Ultrafast Proton and Electron Dynamics in Core-Ionized Hydrated Hydrogen Peroxide: Photoemission Measurements with Isotopically Substituted Hydrogen Peroxide

Popis výsledku v původním jazyce

Auger-electron spectroscopy is applied to hydrogen peroxide aqueous solution to identify ultrafast electronic relaxation processes, specifically those involving a proton transfer between core-ionized hydrogen peroxide and solvating water molecules (proton transfer mediated-charge separation, PTM-CS). Such processes yield dications where the two positive charges resulting from the Auger decay are delocalized over the two molecules. These species contribute to the high-energy tail of the Auger-electron spectrum as do also species resulting from charge delocalization in the ground-state geometry. However, the immediate and secondary transient species are different for ground-state and proton-transferred structures. Here we show that it is possible to experimentally distinguish the species by studying the H2O2/D2O2 isotope effect on the Auger spectra. To interpret the measured Auger-electron spectra, we complement the experiment with ab initio based dynamical calculations.

Název v anglickém jazyce

Ultrafast Proton and Electron Dynamics in Core-Ionized Hydrated Hydrogen Peroxide: Photoemission Measurements with Isotopically Substituted Hydrogen Peroxide

Popis výsledku anglicky

Auger-electron spectroscopy is applied to hydrogen peroxide aqueous solution to identify ultrafast electronic relaxation processes, specifically those involving a proton transfer between core-ionized hydrogen peroxide and solvating water molecules (proton transfer mediated-charge separation, PTM-CS). Such processes yield dications where the two positive charges resulting from the Auger decay are delocalized over the two molecules. These species contribute to the high-energy tail of the Auger-electron spectrum as do also species resulting from charge delocalization in the ground-state geometry. However, the immediate and secondary transient species are different for ground-state and proton-transferred structures. Here we show that it is possible to experimentally distinguish the species by studying the H2O2/D2O2 isotope effect on the Auger spectra. To interpret the measured Auger-electron spectra, we complement the experiment with ab initio based dynamical calculations.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

—

Svazek periodika

118

Číslo periodika v rámci svazku

50

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

"29142?29150"

Kód UT WoS článku

000346759300025

EID výsledku v databázi Scopus

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