Boron Buckminsterfullerene

Fullerenes, spherical molecules made entirely of carbon atoms, have played a foundational role in the birth of nanoscience. Despite extensive research, however, comparable structures composed of other elements remain elusive, highlighting the unique bonding properties of carbon that enable the formation of such remarkable nanoscale architectures. Here, we report the discovery of a fullerene-like 80-atom boron cluster using photoelectron spectroscopy and quantum-chemical calculations. The photoelectron spectrum of B80– reveals a surprisingly simple spectral pattern, suggesting a high symmetry B80 cluster with a large energy gap. Following extensive structural searches and high-level ab initio calculations, we find that a spherical B80– represents the global minimum with only its simulated spectrum agreeing with the experimental result. We show that the electronic structure and chemical bonding of B80 closely mimic those of the C60 buckminsterfullerene. The discovery of the B80 buckminsterfullerene will stimulate its bulk synthesis and pave the way for the development of boron-fullerene chemistry.