On the fused-to-single ring transition in 10π structures. Insights from naphthalene to [10]annulene series

dc.contributor.author	Muñoz-Castro A.
dc.date.accessioned	2020-09-02T22:24:08Z
dc.date.available	2020-09-02T22:24:08Z
dc.date.issued	2016
dc.identifier	10.1016/j.cplett.2016.02.064
dc.identifier.citation	650, , 60-63
dc.identifier.issn	00092614
dc.identifier.uri	https://hdl.handle.net/20.500.12728/5511
dc.description	The fused-to-single-ring transition is studied through a 10πe series given the series from naphthalene to [10]annulene. Our results suggest that change occurs at certain structure instead of a gradual transition. In the transition point, given by bicyclo[7.1.0]decapentaene, similar magnetic behavior in comparison to the single ring counterpart is found. The systems can be considered to behave as a whole single aromatic structure where the fused counterparts can be treated as a modification in the aromatic path of a single ring aromatic motif, which can viewed as a useful approach to evaluate the formation of defects or larger-rings in graphene motifs. © 2016 Elsevier B.V. All rights reserved.
dc.language.iso	en
dc.publisher	Elsevier B.V.
dc.title	On the fused-to-single ring transition in 10π structures. Insights from naphthalene to [10]annulene series
dc.type	Article

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