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[{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