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Saturnenes Like Th@Au 6 D 6h : Ring‐Current Evidence for Au−Au Bonding Along the Gold Ring
Author(s) -
Pyykkö Pekka,
Taubert Stefan
Publication year - 2022
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.202100139
Subject(s) - chemistry , ring (chemistry) , ring current , atom (system on chip) , benzene , aromaticity , metal , transition metal , crystallography , actinide , molecule , inorganic chemistry , physics , catalysis , organic chemistry , computer science , embedded system , earth's magnetic field , biochemistry , quantum mechanics , magnetic field
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 σ 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 π 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.