Open Access Nano Express

Aromatic Borozene

N Gonzalez Szwacki1, V Weber2 and CJ Tymczak1*

Author affiliations

1 Department of Physics, Texas Southern University, Houston, TX, 77004, USA

2 Department of Physical Chemistry, University of Zurich, 8057, Zurich, Switzerland

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Citation and License

Nanoscale Research Letters 2009, 4:1085-1089  doi:10.1007/s11671-009-9362-2

Published: 11 June 2009

Abstract

Based on our comprehensive theoretical investigation and known experimental results for small boron clusters, we predict the existence of a novel aromatic inorganic molecule, B12H6. This molecule, which we refer to as borozene, has remarkably similar properties to the well-known benzene. Borozene is planar, possesses a large first excitation energy, D3hsymmetry, and more importantly is aromatic. Furthermore, the calculated anisotropy of the magnetic susceptibility of borozene is three times larger in absolute value than for benzene. Finally, we show that borozene molecules may be fused together to give larger aromatic compounds with even larger anisotropic susceptibilities.

Keywords:
Aromatic; Boron; Boron hydrides; Ab initio; FreeON; NICS; Planar molecules