Abstrakti
The electronic structure and stability of M '@M-n systems is considered using DFT. The metal atom M ' is a rare earth, actinide, or a d transition metal, and M is a coinage (Group 11) metal. The sigma aromaticity along the M-n ring is emphasized. As a further indicator for it, the magnetically induced currents along the ring are studied, and found to be considerably larger than the aromatic pi currents in benzene. A name saturnenes is suggested for these atom-inside-ring systems. Attention is also called for the known analogous stick-inside-ring systems.
Julkaisun otsikon käännös | Saturnen-liknande Th@Au6 D6h: Ringströmmar visar på Au-Au -bindningar runt guldringen |
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Alkuperäiskieli | englanti |
Artikkeli | 202100139 |
Lehti | Israel Journal of Chemistry |
Vuosikerta | 62 |
Numero | 1-2 |
Sivumäärä | 5 |
ISSN | 0021-2148 |
DOI - pysyväislinkit | |
Tila | Julkaistu - helmik. 2022 |
OKM-julkaisutyyppi | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä, vertaisarvioitu |
Tieteenalat
- 116 Kemia