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Chirality plays an important role in nature. Nanoclusters can also exhibit chiral properties. We report herein a joint experimental and theoretical investigation on the geometric and electronic structures of B 31 − and B 32 − clusters, using photoelectron spectroscopy in combination with first-principles calculations. Two degenerate quasi-planar chiral C 1 enantiomers ( I and II , 1 A) with a central hexagonal vacancy are identified as the global minima of B 31 − . For B 32 − , two degenerate boat-like quasi-planar chiral C 2 structures ( VI and VII , 2 A) with a central hexagonal vacancy are also found as the global minima, with a low-lying chair-like C i B 32 − ( VIII , 2 A u ) also present in the experiment as a minor isomer. The chiral conversions in quasi-planar B 31 − and B 32 − clusters are investigated and relatively low barriers are found due to the high flexibility of these monolayer clusters, which feature multiple delocalized σ and π bonds over buckled molecular surfaces.
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This content will become publicly available on June 3, 2026
Aqueous Oxidation of Biomass-Burning Furans by Singlet Molecular Oxygen ( 1 O 2 *)
- Award ID(s):
- 2220307
- PAR ID:
- 10609934
- Publisher / Repository:
- American Chemical Society
- Date Published:
- Journal Name:
- Environmental Science & Technology
- Volume:
- 59
- Issue:
- 21
- ISSN:
- 0013-936X
- Page Range / eLocation ID:
- 10357 to 10367
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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