We have derived a new set of magic numbers for metallic clusters whose last energy level of valence electrons is half-filled with same-spin electrons in the electronic structure of the jellium model. These numbers may become a powerful tool for finding stable high-spin molecules. The 2N2 + 2N + 1 with S = N + 1/2 rule represented the extension to open-shell spherical compounds of the 2(N + 1)2 Hirsch rule for spherical aromatic species. In this work, we provide evidence that the jellium model with its magic numbers can also be extended to open-shell half-filled systems. The study was published today in Chemical Communications:
J. Poater, and M. Solà
“Open-shell jellium aromaticity in metal clusters”
Chem. Commun. 2019, 55, 5559-5562
[abstract]
DOI: 10.1039/C9CC02067E
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