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- Title
Chiral Jahn–Teller Distortion in Quasi-Planar Boron Clusters.
- Authors
Zhao, Dongbo; Zhao, Yilin; Xu, Tianlv; He, Xin; Hu, Shankai; Ayers, Paul W.; Liu, Shubin
- Abstract
In this work, we have observed that some chiral boron clusters ( B 16 − , B 20 − , B 24 − , and B 28 − ) 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.
- Subjects
BORON; MOLECULAR orbitals; CHIRALITY of nuclear particles; JAHN-Teller effect; AROMATICITY; SPINTRONICS
- Publication
Molecules, 2024, Vol 29, Issue 7, p1624
- ISSN
1420-3049
- Publication type
Article
- DOI
10.3390/molecules29071624