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Chiral Jahn-Teller Distortion in Quasi-Planar Boron Clusters.
Zhao, Dongbo; Zhao, Yilin; Xu, Tianlv; He, Xin; Hu, Shankai; Ayers, Paul W; Liu, Shubin.
Afiliación
  • Zhao D; Institute of Biomedical Research, Yunnan University, Kunming 650500, China.
  • Zhao Y; Department of Chemistry and Chemical Biology, McMaster University, Hamilton, ON L8S 4M1, Canada.
  • Xu T; College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha 410081, China.
  • He X; Qingdao Institute for Theoretical and Computational Sciences, Shandong University, Qingdao 266237, China.
  • Hu S; Institute of Biomedical Research, Yunnan University, Kunming 650500, China.
  • Ayers PW; Department of Chemistry and Chemical Biology, McMaster University, Hamilton, ON L8S 4M1, Canada.
  • Liu S; Research Computing Center, University of North Carolina, Chapel Hill, NC 27599-3420, USA.
Molecules ; 29(7)2024 Apr 04.
Article en En | MEDLINE | ID: mdl-38611903
ABSTRACT
In this work, we have observed that some chiral boron clusters (B16-, B20-, B24-, and B28-) can simultaneously have helical molecular orbitals and helical spin densities; these seem to be the first compounds discovered to have this intriguing property. We show that chiral Jahn-Teller distortion of quasi-planar boron clusters drives the formation of the helical molecular spin densities in these clusters and show that elongation/enhancement in helical molecular orbitals can be achieved by simply adding more building blocks via a linker. Aromaticity of these boron clusters is discussed. Chiral boron clusters may find potential applications in spintronics, such as molecular magnets.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Suiza
Texto completo
Añadir a Mi BVS
Imprimir
XML
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Suiza