Observation and characterization of the smallest borospherene, B28− and B28

Free-standing boron nanocages or borospherenes have been observed recently for B40 − and B40. 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 cag...

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Published inThe Journal of Chemical Physics Vol. 144; no. 6; p. 064307
Main Authors Wang, Ying-Jin, Zhao, Ya-Fan, Li, Wei-Li, Jian, Tian, Chen, Qiang, You, Xue-Rui, Ou, Ting, Zhao, Xiao-Yun, Zhai, Hua-Jin, Li, Si-Dian, Li, Jun, Wang, Lai-Sheng
Format Journal Article
LanguageEnglish
Published United States AIP Publishing 14.02.2016
American Institute of Physics
Subjects
Aromaticity
Boron
Cages
Isomers
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Abstract Free-standing boron nanocages or borospherenes have been observed recently for B40 − and B40. 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 B28 − and B28. Photoelectron spectrum of B28 − indicated contributions from different isomers. Theoretical calculations showed that the seashell-like B28 − 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 B28 and the B28 − cage represents the smallest borospherene observed to date. It is composed of two triangular close-packed B15 sheets, interconnected via the three corners by sharing two boron atoms. The B28 borospherene was found to obey the 2(n + 1)2 electron-counting rule for spherical aromaticity.
AbstractList Free-standing boron nanocages or borospherenes have been observed recently for B40− and B40. 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 B28− and B28. Photoelectron spectrum of B28− indicated contributions from different isomers. Theoretical calculations showed that the seashell-like B28− 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 B28 and the B28− cage represents the smallest borospherene observed to date. It is composed of two triangular close-packed B15 sheets, interconnected via the three corners by sharing two boron atoms. The B28 borospherene was found to obey the 2(n + 1)2 electron-counting rule for spherical aromaticity.
Free-standing boron nanocages or borospherenes have been observed recently for B40(-) and B40. 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 B28(-) and B28. Photoelectron spectrum of B28(-) indicated contributions from different isomers. Theoretical calculations showed that the seashell-like B28(-) 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 B28 and the B28(-) cage represents the smallest borospherene observed to date. It is composed of two triangular close-packed B15 sheets, interconnected via the three corners by sharing two boron atoms. The B28 borospherene was found to obey the 2(n + 1)(2) electron-counting rule for spherical aromaticity.
Free-standing boron nanocages or borospherenes have been observed recently for B40 − and B40. 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 B28 − and B28. Photoelectron spectrum of B28 − indicated contributions from different isomers. Theoretical calculations showed that the seashell-like B28 − 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 B28 and the B28 − cage represents the smallest borospherene observed to date. It is composed of two triangular close-packed B15 sheets, interconnected via the three corners by sharing two boron atoms. The B28 borospherene was found to obey the 2(n + 1)2 electron-counting rule for spherical aromaticity.
Author Ya-Fan Zhao
Xue-Rui You
Si-Dian Li
Ying-Jin Wang
Jun Li
Xiao-Yun Zhao
Tian Jian
Ting Ou
Wei-Li Li
Lai-Sheng Wang
Qiang Chen
Hua-Jin Zhai
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  organization: 4State Key Laboratory of Quantum Optics and Quantum Optics Devices, Shanxi University, Taiyuan 030006, China
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  email: hj.zhai@sxu.edu.cn, lisidian@sxu.edu.cn, junli@tsinghua.edu.cn, lai-sheng_ wang@brown.edu
  organization: Brown University
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2016 AIP Publishing LLC.
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Snippet Free-standing boron nanocages or borospherenes have been observed recently for B40 − and B40. There is evidence that a family of borospherenes may exist....
Free-standing boron nanocages or borospherenes have been observed recently for B40− and B40. There is evidence that a family of borospherenes may exist....
Free-standing boron nanocages or borospherenes have been observed recently for B40(-) and B40. There is evidence that a family of borospherenes may exist....
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StartPage 064307
SubjectTerms Aromaticity
Boron
Cages
Isomers
Title Observation and characterization of the smallest borospherene, B28− and B28
URI https://cir.nii.ac.jp/crid/1872272493136860032
http://dx.doi.org/10.1063/1.4941380
https://www.ncbi.nlm.nih.gov/pubmed/26874488
https://www.proquest.com/docview/2121887514
https://www.proquest.com/docview/1765578922
Volume 144
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