Direct observation of the collapse of the delocalized excess electron in water

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F14%3A00432523" target="_blank" >RIV/61388963:_____/14:00432523 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1038/NCHEM.1995" target="_blank" >http://dx.doi.org/10.1038/NCHEM.1995</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/NCHEM.1995" target="_blank" >10.1038/NCHEM.1995</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Direct observation of the collapse of the delocalized excess electron in water

Popis výsledku v původním jazyce

It is generally assumed that the hydrated electron occupies a quasi-spherical cavity surrounded by only a few water molecules in its equilibrated state. However, in the very moment of its generation, before water has had time to respond to the extra charge, it is expected to be significantly larger in size. According to a particle-in-a-box picture, the frequency of its absorption spectrum is a sensitive measure of the initial size of the electronic wavefunction. Here, using transient terahertz spectroscopy, we show that the excess electron initially absorbs in the far-infrared at a frequency for which accompanying ab initio molecular dynamics simulations estimate an initial delocalization length of approximate to 40 angstrom. The electron subsequentlyshrinks due to solvation and thereby leaves the terahertz observation window very quickly, within approximate to 200 fs.

Název v anglickém jazyce

Direct observation of the collapse of the delocalized excess electron in water

Popis výsledku anglicky

It is generally assumed that the hydrated electron occupies a quasi-spherical cavity surrounded by only a few water molecules in its equilibrated state. However, in the very moment of its generation, before water has had time to respond to the extra charge, it is expected to be significantly larger in size. According to a particle-in-a-box picture, the frequency of its absorption spectrum is a sensitive measure of the initial size of the electronic wavefunction. Here, using transient terahertz spectroscopy, we show that the excess electron initially absorbs in the far-infrared at a frequency for which accompanying ab initio molecular dynamics simulations estimate an initial delocalization length of approximate to 40 angstrom. The electron subsequentlyshrinks due to solvation and thereby leaves the terahertz observation window very quickly, within approximate to 200 fs.

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

<a href="/cs/project/GBP208%2F12%2FG016" target="_blank" >GBP208/12/G016: Řízení struktury a funkce biomolekul na molekulové úrovni: souhra teorie a experimentu</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

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

Název periodika

Nature Chemistry

ISSN

1755-4330

e-ISSN

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Svazek periodika

6

Číslo periodika v rámci svazku

8

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

5

Strana od-do

697-701

Kód UT WoS článku

000341371100012

EID výsledku v databázi Scopus

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