[{Th(C8H8)Cl2}3]2− is stable but not aromatic
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F22%3A00125745" target="_blank" >RIV/00216224:14310/22:00125745 - isvavai.cz</a>
Result on the web
<a href="https://www.nature.com/articles/s41586-021-04319-z" target="_blank" >https://www.nature.com/articles/s41586-021-04319-z</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41586-021-04319-z" target="_blank" >10.1038/s41586-021-04319-z</a>
Alternative languages
Result language
angličtina
Original language name
[{Th(C8H8)Cl2}3]2− is stable but not aromatic
Original language description
The term aromaticity in chemistry is reminiscent of symmetric, exceptionally stable structures that have delocalized electrons that sustain diamagnetic ring currents in response to external magnetic fields; the two latter characteristics are sometimes mistakenly thought to be the same1. In a ground-breaking discovery, Liddle and co-workers synthesized a D3h complex with rare thorium (Th)‒Th bonds2. Studying the electronic structure of a neutral singlet model system, K2[{Th(C8H8)Cl2}3] or 3″, showed that the molecule has a delocalized highest occupied molecular orbital (HOMO) between three Th atoms akin to a three-centre–two-electron bond. Using nucleus independent chemical shift (NICS)3 computations and according to the pattern of the NICS scan plot4 of 3″, the authors suggest that the molecule is a σ-aromatic species, as reflected in the title of their paper; but we question whether this molecule is an aromatic one.
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
10400 - Chemical sciences
Result continuities
Project
<a href="/en/project/LM2015085" target="_blank" >LM2015085: CERIT Scientific Cloud</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Nature
ISSN
0028-0836
e-ISSN
1476-4687
Volume of the periodical
603
Issue of the periodical within the volume
7902
Country of publishing house
DE - GERMANY
Number of pages
3
Pages from-to
„E18“-„E20“
UT code for WoS article
000772661800001
EID of the result in the Scopus database
2-s2.0-85126833284