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 ca...

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Veröffentlicht in:The Journal of chemical physics Jg. 144; H. 6; S. 064307
Hauptverfasser: 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
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Sprache:Englisch
Veröffentlicht: United States 14.02.2016
ISSN:1089-7690
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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.
Author Li, Jun
Li, Si-Dian
Wang, Lai-Sheng
Zhao, Xiao-Yun
Zhai, Hua-Jin
Chen, Qiang
Jian, Tian
Wang, Ying-Jin
You, Xue-Rui
Zhao, Ya-Fan
Ou, Ting
Li, Wei-Li
Author_xml – sequence: 1
  givenname: Ying-Jin
  surname: Wang
  fullname: Wang, Ying-Jin
  organization: Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
– sequence: 2
  givenname: Ya-Fan
  surname: Zhao
  fullname: Zhao, Ya-Fan
  organization: Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China
– sequence: 3
  givenname: Wei-Li
  surname: Li
  fullname: Li, Wei-Li
  organization: Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA
– sequence: 4
  givenname: Tian
  surname: Jian
  fullname: Jian, Tian
  organization: Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA
– sequence: 5
  givenname: Qiang
  surname: Chen
  fullname: Chen, Qiang
  organization: Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
– sequence: 6
  givenname: Xue-Rui
  surname: You
  fullname: You, Xue-Rui
  organization: Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
– sequence: 7
  givenname: Ting
  surname: Ou
  fullname: Ou, Ting
  organization: Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
– sequence: 8
  givenname: Xiao-Yun
  surname: Zhao
  fullname: Zhao, Xiao-Yun
  organization: Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
– sequence: 9
  givenname: Hua-Jin
  surname: Zhai
  fullname: Zhai, Hua-Jin
  organization: Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
– sequence: 10
  givenname: Si-Dian
  surname: Li
  fullname: Li, Si-Dian
  organization: Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
– sequence: 11
  givenname: Jun
  surname: Li
  fullname: Li, Jun
  organization: Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China
– sequence: 12
  givenname: Lai-Sheng
  surname: Wang
  fullname: Wang, Lai-Sheng
  organization: Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA
BackLink https://www.ncbi.nlm.nih.gov/pubmed/26874488$$D View this record in MEDLINE/PubMed
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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....
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Title Observation and characterization of the smallest borospherene, B28(-) and B28
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