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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, B(12)H(6). This molecule, which we refer to as borozene, has remarkably similar properties to the well-known benzene. Borozen...

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Detalles Bibliográficos
Autores principales: Szwacki, N Gonzalez, Weber, V, Tymczak, CJ
Formato: Texto
Lenguaje:English
Publicado: Springer 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2893872/
https://www.ncbi.nlm.nih.gov/pubmed/20596438
http://dx.doi.org/10.1007/s11671-009-9362-2
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author Szwacki, N Gonzalez
Weber, V
Tymczak, CJ
author_facet Szwacki, N Gonzalez
Weber, V
Tymczak, CJ
author_sort Szwacki, N Gonzalez
collection PubMed
description Based on our comprehensive theoretical investigation and known experimental results for small boron clusters, we predict the existence of a novel aromatic inorganic molecule, B(12)H(6). 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, D(3h)symmetry, 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.
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spelling pubmed-28938722010-06-30 Aromatic Borozene Szwacki, N Gonzalez Weber, V Tymczak, CJ Nanoscale Res Lett Nano Express Based on our comprehensive theoretical investigation and known experimental results for small boron clusters, we predict the existence of a novel aromatic inorganic molecule, B(12)H(6). 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, D(3h)symmetry, 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. Springer 2009-06-11 /pmc/articles/PMC2893872/ /pubmed/20596438 http://dx.doi.org/10.1007/s11671-009-9362-2 Text en Copyright ©2009 to the authors
spellingShingle Nano Express
Szwacki, N Gonzalez
Weber, V
Tymczak, CJ
Aromatic Borozene
title Aromatic Borozene
title_full Aromatic Borozene
title_fullStr Aromatic Borozene
title_full_unstemmed Aromatic Borozene
title_short Aromatic Borozene
title_sort aromatic borozene
topic Nano Express
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2893872/
https://www.ncbi.nlm.nih.gov/pubmed/20596438
http://dx.doi.org/10.1007/s11671-009-9362-2
work_keys_str_mv AT szwackingonzalez aromaticborozene
AT weberv aromaticborozene
AT tymczakcj aromaticborozene