期刊
NATURE COMMUNICATIONS
卷 6, 期 -, 页码 -出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/ncomms9654
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资金
- National Science Foundation [CHE-1263745, CHE-1361413]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1361413, 1263745] Funding Source: National Science Foundation
The electron deficiency and strong bonding capacity of boron have led to a vast variety of molecular structures in chemistry and materials science. Here we report the observation of highly symmetric cobalt-centered boron drum-like structures of CoB16-, characterized by photoelectron spectroscopy and ab initio calculations. The photoelectron spectra display a relatively simple spectral pattern, suggesting a high symmetry structure. Two nearly degenerate isomers with D-8d (I) and C-4v (II) symmetries are found computationally to compete for the global minimum. These drum-like structures consist of two B-8 rings sandwiching a cobalt atom, which has the highest coordination number known heretofore in chemistry. We show that doping of boron clusters with a transition metal atom induces an earlier two-dimensional to three-dimensional structural transition. The CoB16- cluster is tested as a building block in a triple-decker sandwich, suggesting a promising route for its realization in the solid state.
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