期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 53, 期 22, 页码 5540-5545出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201402488
关键词
ab initio calculations; boron clusters; borophene; chirality; photoelectron spectroscopy
资金
- U.S. National Science Foundation [CHE-1263745]
- NKBRSF [2011CB932401]
- NSFC of China [21221062, 91026003]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1263745] Funding Source: National Science Foundation
Chirality is vital in chemistry. Its importance in atomic clusters has been recognized since the discovery of the first chiral fullerene, the D-2 symmetric C-76.([1]) A number of gold clusters have been found to be chiral,([2]) raising the possibility to use them as asymmetric catalysts. The discovery of clusters with enantiomeric structures is essential to design new chiral materials with tailored chemical and physical properties.([3]) Herein we report the first inherently chiral boron cluster of [B-30](-) in a joint photoelectron spectroscopy and theoretical study. The most stable structure of [B-30](-) is found to be quasiplanar with a hexagonal hole. Interestingly, a pair of enantiomers arising from different positions of the hexagonal hole are found to be degenerate in our global minimum searches and both should co-exist experimentally because they have identical electronic structures and give rise to identical simulated photoelectron spectra.
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