Aromatic Borozene

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Aromatic Borozene

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...

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Probing Aromaticity of Borozene Through Optical and Dielectric Response: A Theoretical Study

In this work, we report electronic structure calculations aimed at computing the linear optical absorption spectrum and static dipole polarizablity of a newly proposed boron-based planar aromatic compound borozene (B12H6). For the purpose, we use the semiempirical INDO model Hamiltonian, accompanied by large-scale correlation calculations using the multi-reference singles-doubles configuration-...

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ژورنال

عنوان ژورنال: Nanoscale Research Letters

سال: 2009

ISSN: 1931-7573,1556-276X

DOI: 10.1007/s11671-009-9362-2