4.6 Article

On the Strong Ring Currents in B20 and Neighboring Boron Toroids

Journal

JOURNAL OF PHYSICAL CHEMISTRY C
Volume 113, Issue 2, Pages 524-530

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/jp8087918

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Funding

  1. Svenska Tekniska Vetenskapsakademien i Finland
  2. Lundbeck Foundation

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Magnetically induced ring currents in the toroidal, double ring forms of the boron clusters B-n (n = 16, 18, 20, 24) are investigated by using quantum chemical methodology. B-16, B-20, and B-24 are found to sustain high diamagnetic currents, fulfilling the magnetic criterion of aromaticity, while B-18 and B-22 appear to be strongly antiaromatic. Possible connections to the stabilities of these nanoclusters are discussed.

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