On-surface synthesis and determination of the open-shell singlet ground state of tridecacene
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F24%3A00585709" target="_blank" >RIV/61388955:_____/24:00585709 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/24:00585709
Result on the web
<a href="https://doi.org/10.1002/anie.202317091" target="_blank" >https://doi.org/10.1002/anie.202317091</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/anie.202317091" target="_blank" >10.1002/anie.202317091</a>
Alternative languages
Result language
angličtina
Original language name
On-surface synthesis and determination of the open-shell singlet ground state of tridecacene
Original language description
The character of the electronic structure of acenes has been the subject of longstanding discussion. However, convincing experimental evidence of their open-shell character has so far been missing. Here, we present the on-surface synthesis of tridecacene molecules by thermal annealing of octahydrotridecacene on a Au(111) surface. We characterized the electronic structure of the tridecacene by scanning probe microscopy, which reveals the presence of an inelastic signal at 126 meV. We attribute the inelastic signal to spin excitation from the singlet diradical ground state to the triplet excited state. To rationalize the experimental findings, we carried out many-body ab initio calculations as well as model Hamiltonians to take into account the effect of the metallic substrate.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Angewandte Chemie - International Edition
ISSN
1433-7851
e-ISSN
1521-3773
Volume of the periodical
63
Issue of the periodical within the volume
9
Country of publishing house
DE - GERMANY
Number of pages
8
Pages from-to
e202317091
UT code for WoS article
001147981900001
EID of the result in the Scopus database
2-s2.0-85182829908