Document Detail

B22- and B23-: All-Boron Analogues of Anthracene and Phenanthrene.
MedLine Citation:
PMID:  23030415     Owner:  NLM     Status:  Publisher    
Clusters of boron atoms exhibit intriguing size-dependent structures and chemical bonding that are different from bulk boron and may lead to new boron-based nanostructures. We report a combined photoelectron spectroscopic and ab initio study of the 22- and 23-atom boron clusters. The joint experimental and theoretical investigation shows that B22- and B23- possess quasi-planar and planar structures, respectively. The quasi-planar B22- consists of fourteen-peripheral atoms and eight interior atoms in a slightly buckled triangular lattice. Chemical bonding analyses of the closed-shell B222- species reveal seven delocalized π orbitals, which are similar to those in anthracene. B23- is a perfectly planar and heart-shaped cluster with a pentagonal cavity and a π bonding pattern similar to that in phenanthrene. Thus, B22- and B23-, the largest negatively charged boron clusters that have been characterized experimentally to date, can be viewed as all-boron analogues of anthracene and phenanthrene, respectively. The current work shows that boron clusters are not only planar at very large sizes, but they also continue to yield surprises and novel chemical bonding analogous to specific polycyclic aromatic hydrocarbons.
Alina P Sergeeva; Zachary A Piazza; Constantin Romanescu; Wei-Li Li; Alexander I Boldyrev; Lai-Sheng Wang
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-10-3
Journal Detail:
Title:  Journal of the American Chemical Society     Volume:  -     ISSN:  1520-5126     ISO Abbreviation:  J. Am. Chem. Soc.     Publication Date:  2012 Oct 
Date Detail:
Created Date:  2012-10-3     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  7503056     Medline TA:  J Am Chem Soc     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
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