Saturnenes Like Th@Au6 D6h: Ring-Current Evidence for Au Au Bonding Along the Gold Ring

Bidragets översatta titel: Saturnen-liknande Th@Au6 D6h: Ringströmmar visar på Au-Au -bindningar runt guldringen

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Sammanfattning

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.

Bidragets översatta titelSaturnen-liknande Th@Au6 D6h: Ringströmmar visar på Au-Au -bindningar runt guldringen
Originalspråkengelska
Artikelnummer202100139
TidskriftIsrael Journal of Chemistry
Volym62
Nummer1-2
Antal sidor5
ISSN0021-2148
DOI
StatusPublicerad - feb. 2022
MoE-publikationstypA1 Tidskriftsartikel-refererad

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