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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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Springer
2009
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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. |
format | Text |
id | pubmed-2893872 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | Springer |
record_format | MEDLINE/PubMed |
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 |