期刊
NANOSCALE
卷 9, 期 13, 页码 4550-4557出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7nr00641a
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资金
- US National Science Foundation [CHE-1632813]
- National Natural Science Foundation of China [21373130, 21573138]
- National Key Basic Research Special Foundations [2011CB932401]
- State Key Laboratory of Quantum Optics and Quantum Optics Devices [KF201402]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1263745] Funding Source: National Science Foundation
Boron clusters have been found to exhibit a variety of interesting electronic, structural, and bonding properties. Of particular interest are the recent discoveries of the 2D hexagonal B-36(-/0) which led to the concept of borophenes and the 3D fullerene-like B-40(-/0) which marked the onset of borospherene chemistry. Here, we present a joint photoelectron spectroscopic and first-principles study of B-37(-) and B-38(-), which are in the transition size range between the 2D borophene-type clusters and the 3D borospherenes. These two clusters are found to possess highly stable 2D global-minimum structures consisting of a double-hexagonal vacancy. Detailed bonding analyses reveal that both B-37(-) and B-38(-) are allboron analogues of coronene (C24H12) with a unique delocalized pi system, featuring dual pi aromaticity. These clusters with double hexagonal vacancies can be viewed as molecular motifs for the x(3)-borophene which is the most stable form of borophenes recently synthesized on an Ag(111) substrate.
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