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Aromatic Borozene


Gonzalez Szwacki, N; Weber, V; Tymczak, C J (2009). Aromatic Borozene. Nanoscale Research Letters, 4(9):1085-1089.

Abstract

Based on our comprehensive theoretical investigation and known experimental results for small bor
on 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, 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.

Based on our comprehensive theoretical investigation and known experimental results for small bor
on 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, 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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28 citations in Web of Science®
27 citations in Scopus®
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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Date:September 2009
Deposited On:16 Dec 2009 11:22
Last Modified:05 Apr 2016 13:34
Publisher:Springer
ISSN:1556-276X
Additional Information:The original publication is available at www.springerlink.com or free access at DOI
Free access at:Official URL. An embargo period may apply.
Publisher DOI:10.1007/s11671-009-9362-2
Official URL:http://www.springerlink.com/content/u15lrg1112t4u140/fulltext.pdf
Permanent URL: http://doi.org/10.5167/uzh-24477

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