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A Neutral Dy(II) Bis(amide): Synthesis, Magnetism, and a P 4 2– Complex
- Award ID(s):
- 2339595
- PAR ID:
- 10641652
- Publisher / Repository:
- American Chemical Society
- Date Published:
- Journal Name:
- Inorganic Chemistry
- Volume:
- 64
- Issue:
- 41
- ISSN:
- 0020-1669
- Format(s):
- Medium: X Size: p. 20643-20651
- Size(s):
- p. 20643-20651
- Sponsoring Org:
- National Science Foundation
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null (Ed.)Size-selected negatively-charged boron clusters (B n − ) have been found to be planar or quasi-planar in a wide size range. Even though cage structures emerged as the global minimum at B 39 − , the global minimum of B 40 − was in fact planar. Only in the neutral form did the B 40 borospherene become the global minimum. How the structures of larger boron clusters evolve is of immense interest. Here we report the observation of a bilayer B 48 − cluster using photoelectron spectroscopy and first-principles calculations. The photoelectron spectra of B 48 − exhibit two well-resolved features at low binding energies, which are used as electronic signatures to compare with theoretical calculations. Global minimum searches and theoretical calculations indicate that both the B 48 − anion and the B 48 neutral possess a bilayer-type structure with D 2h symmetry. The simulated spectrum of the D 2h B 48 − agrees well with the experimental spectral features, confirming the bilayer global minimum structure. The bilayer B 48 −/0 clusters are found to be highly stable with strong interlayer covalent bonding, revealing a new structural type for size-selected boron clusters. The current study shows the structural diversity of boron nanoclusters and provides experimental evidence for the viability of bilayer borophenes.more » « less
