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Title: Observation and characterization of the smallest borospherene, B{sub 28}{sup −} and B{sub 28}

Free-standing boron nanocages or borospherenes have been observed recently for B{sub 40}{sup −} and B{sub 40}. There is evidence that a family of borospherenes may exist. However, the smallest borospherene is still not known. Here, we report experimental and computational evidence of a seashell-like borospherene cage for B{sub 28}{sup −} and B{sub 28}. Photoelectron spectrum of B{sub 28}{sup −} indicated contributions from different isomers. Theoretical calculations showed that the seashell-like B{sub 28}{sup −} borospherene is competing for the global minimum with a planar isomer and it is shown to be present in the cluster beam, contributing to the observed photoelectron spectrum. The seashell structure is found to be the global minimum for neutral B{sub 28} and the B{sub 28}{sup −} cage represents the smallest borospherene observed to date. It is composed of two triangular close-packed B{sub 15} sheets, interconnected via the three corners by sharing two boron atoms. The B{sub 28} borospherene was found to obey the 2(n + 1){sup 2} electron-counting rule for spherical aromaticity.
Authors:
; ; ; ; ;  [1] ; ;  [2] ; ; ;  [3] ;  [1] ;  [4]
  1. Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China)
  2. Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084 (China)
  3. Department of Chemistry, Brown University, Providence, Rhode Island 02912 (United States)
  4. (China)
Publication Date:
OSTI Identifier:
22493733
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 144; Journal Issue: 6; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ATOMIC CLUSTERS; ATOMS; BORON; CLUSTER BEAMS; ELECTRONS; ISOMERS; PHOTOELECTRON SPECTROSCOPY; SPHERICAL CONFIGURATION