Direct tracking of ultrafast proton transfer in water dimers

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F23%3A43927292" target="_blank" >RIV/60461373:22340/23:43927292 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.science.org/doi/10.1126/sciadv.adg7864" target="_blank" >https://www.science.org/doi/10.1126/sciadv.adg7864</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1126/sciadv.adg7864" target="_blank" >10.1126/sciadv.adg7864</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Direct tracking of ultrafast proton transfer in water dimers

Popis výsledku v původním jazyce

Upon ionization, water forms a highly acidic radical cation H2O+· that undergoes ultrafast proton transfer (PT)—a pivotal step in water radiation chemistry, initiating the production of reactive H3O+, OH⋅ radicals, and a (hydrated) electron. Until recently, the time scales, mechanisms, and state-dependent reactivity of ultrafast PT could not be directly traced. Here, we investigate PT in water dimers using time-resolved ion coincidence spectroscopy applying a free-electron laser. An extreme ultraviolet (XUV) pump photon initiates PT, and only dimers that have undergone PT at the instance of the ionizing XUV probe photon result in distinct H3O+ + OH+ pairs. By tracking the delay-dependent yield and kinetic energy release of these ion pairs, we measure a PT time of (55 ± 20) femtoseconds and image the geometrical rearrangement of the dimer cations during and after PT. Our direct measurement shows good agreement with nonadiabatic dynamics simulations for the initial PT and allows us to benchmark nonadiabatic theory.

Název v anglickém jazyce

Direct tracking of ultrafast proton transfer in water dimers

Popis výsledku anglicky

Upon ionization, water forms a highly acidic radical cation H2O+· that undergoes ultrafast proton transfer (PT)—a pivotal step in water radiation chemistry, initiating the production of reactive H3O+, OH⋅ radicals, and a (hydrated) electron. Until recently, the time scales, mechanisms, and state-dependent reactivity of ultrafast PT could not be directly traced. Here, we investigate PT in water dimers using time-resolved ion coincidence spectroscopy applying a free-electron laser. An extreme ultraviolet (XUV) pump photon initiates PT, and only dimers that have undergone PT at the instance of the ionizing XUV probe photon result in distinct H3O+ + OH+ pairs. By tracking the delay-dependent yield and kinetic energy release of these ion pairs, we measure a PT time of (55 ± 20) femtoseconds and image the geometrical rearrangement of the dimer cations during and after PT. Our direct measurement shows good agreement with nonadiabatic dynamics simulations for the initial PT and allows us to benchmark nonadiabatic theory.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GX21-26601X" target="_blank" >GX21-26601X: Zkoumání a transformace hmoty elektrony v kapalných mikrotryskách</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2023

Kód důvěrnosti údajů

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

Název periodika

Science Advances

ISSN

2375-2548

e-ISSN

2375-2548

Svazek periodika

9

Číslo periodika v rámci svazku

28

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

"eadg7864"

Kód UT WoS článku

001033220400010

EID výsledku v databázi Scopus

2-s2.0-85164541885