Ultrafast isomerization in acetylene dication after carbon K-shell ionization

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389021%3A_____%2F17%3A00508743" target="_blank" >RIV/61389021:_____/17:00508743 - isvavai.cz</a>

Alternative codes found

RIV/68378271:_____/17:00487226

Result on the web

<a href="https://www.nature.com/articles/s41467-017-00426-6" target="_blank" >https://www.nature.com/articles/s41467-017-00426-6</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/s41467-017-00426-6" target="_blank" >10.1038/s41467-017-00426-6</a>

Result language

angličtina

Original language name

Ultrafast isomerization in acetylene dication after carbon K-shell ionization

Original language description

Ultrafast proton migration and isomerization are key processes for acetylene and its ions. However, the mechanism for ultrafast isomerization of acetylene [HCCH](2+) to vinylidene [H2CC](2+) dication remains nebulous. Theoretical studies show a large potential barrier (> 2 eV) for isomerization on low-lying dicationic states, implying picosecond or longer isomerization timescales. However, a recent experiment at a femtosecond X-ray free-electron laser suggests sub-100 fs isomerization. Here we address this contradiction with a complete theoretical study of the dynamics of acetylene dication produced by Auger decay after X-ray photoionization of the carbon atom K shell. We find no sub-100 fs isomerization, while reproducing the salient features of the time-resolved Coulomb imaging experiment. This work resolves the seeming contradiction between experiment and theory and also calls for careful interpretation of structural information from the widely applied Coulomb momentum imaging method.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10305 - Fluids and plasma physics (including surface physics)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

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

Publication year

2017

Confidentiality

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

Name of the periodical

Nature Communications

ISSN

2041-1723

e-ISSN

—

Volume of the periodical

8

Issue of the periodical within the volume

September

Country of publishing house

GB - UNITED KINGDOM

Number of pages

7

Pages from-to

453

UT code for WoS article

000409458000007

EID of the result in the Scopus database

2-s2.0-85028911375