Saturnenes Like Th@Au₆D_6h: Ring‐Current Evidence for Au−Au Bonding Along the Gold Ring

Abstract

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 magneti-cally 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 atominside-ring systems. Attention is also called for the known analogous stick-inside-ring systems.

Electronic Structure and Anion Photoelectron Spectroscopy of Uranium–Gold Clusters UAun–, n = 3–7

“…15 This has been addressed with a recent computational work with a larger Au count in An−Au clusters, which are planar and show a high degree of sigma aromaticity and has even led to a class of clusters by the name of Saturnenes, for their delocalized electron ring-like orbit around the actinide atom. 16,17 dependent phenomenon, as observed in the catalytic activity in pure gold clusters, can also be a contribution toward creating a linkage between sigma aromaticity and halogen mimicry in actinide−gold nanoclusters. Studies on smaller actinide clusters provide tremendous insights into the nature of actinide bonding.…”

“…The question “When does gold behave as a halogen?” was asked years ago and still to this day left with an unsatisfactory answer, with UAu 4 and ThAu 4 being the systems of choice for such consideration . This has been addressed with a recent computational work with a larger Au count in An–Au clusters, which are planar and show a high degree of sigma aromaticity and has even led to a class of clusters by the name of Saturnenes , for their delocalized electron ring-like orbit around the actinide atom. , The size-dependent phenomenon, as observed in the catalytic activity in pure gold clusters, can also be a contribution toward creating a linkage between sigma aromaticity and halogen mimicry in actinide–gold nanoclusters.…”