Permanent URL to this publication: http://dx.doi.org/10.5167/uzh-24477
Gonzalez Szwacki, N; Weber, V; Tymczak, C J (2009). Aromatic Borozene. Nanoscale Research Letters, 4(9):1085-1089.
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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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|Item Type:||Journal Article, refereed, original work|
|Communities & Collections:||07 Faculty of Science > Department of Chemistry|
|Dewey Decimal Classification:||540 Chemistry|
|Deposited On:||16 Dec 2009 11:22|
|Last Modified:||05 Jun 2014 13:50|
|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.|
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