[{Th(C8H8)Cl2}3]2− is stable but not aromatic

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

[{Th(C8H8)Cl2}3]2− is stable but not aromatic

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

[{Th(C8H8)Cl2}3]2− is stable but not aromatic

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10400 - Chemical sciences

Projekt

<a href="/cs/project/LM2015085" target="_blank" >LM2015085: CERIT Scientific Cloud</a><br>

Návaznosti

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

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

Nature

ISSN

0028-0836

e-ISSN

1476-4687

Svazek periodika

603

Číslo periodika v rámci svazku

7902

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

3

Strana od-do

„E18“-„E20“

Kód UT WoS článku

000772661800001

EID výsledku v databázi Scopus

2-s2.0-85126833284