Observation of two classes of isomers of hydrated electrons in sodium-water clusters

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F10%3A00023298" target="_blank" >RIV/60461373:22340/10:00023298 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Observation of two classes of isomers of hydrated electrons in sodium-water clusters

Original language description

A new class of sodium-water clusters with a low lying ionization potential (IP) is characterized by their photoionization spectra in molecular beam experiments. This implies that Na(H2O)(n) clusters coexist for n >= 15 in two forms of significant abundances being distinguished by their IPs of similar to 2.8 and similar to 3.2 eV. A tentative quantum chemical characterization was achieved by simulating ionization spectra for selected cluster sizes using an ab initio molecular dynamics approach. Experiment and theory suggest that the Na+-e(-) distance is significantly larger in the clusters with the lower IP. This indicates that the solvated electron in Na(H2O)(n) clusters very probably forms with the Na+ counterion both a solvent separated and a contaction pair.

Czech name

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Czech description

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Type

J_x - 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/GAP208%2F10%2F1724" target="_blank" >GAP208/10/1724: Molecular simulation studies of structure and dynamics of ice surfaces in the presence of impurities and atmospheric pollutants</a><br>

Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2010

Confidentiality

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

Name of the periodical

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

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Volume of the periodical

132

Issue of the periodical within the volume

22

Country of publishing house

US - UNITED STATES

Number of pages

4

Pages from-to

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UT code for WoS article

000278858400002

EID of the result in the Scopus database

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