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Consequences of Curvature on Induced Magnetic Field: The Case of Helicenes

dc.contributor.authorOrozco-Ic M.
dc.contributor.authorBarroso J.
dc.contributor.authorCharistos N.D.
dc.contributor.authorMuñoz-Castro A.
dc.contributor.authorMerino G.
dc.date.accessioned2020-09-02T22:24:51Z
dc.date.available2020-09-02T22:24:51Z
dc.date.issued2020
dc.identifier10.1002/chem.201904390
dc.identifier.citation26, 1, 326-330
dc.identifier.issn09476539
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5668
dc.descriptionHelicenes consist of several fused rings twisted around an axis, forming a cylindrical helix, with π-delocalized electrons in the non-planar rings. Induced magnetic fields dissecting the orbital contributions of [6]-, [7]-, and [14]helicene are discussed. Computations show a deshielding cone produced by the π-electrons along the helical axis. Unexpectedly, the response of the core electrons produces a shielding cone, which is cumulative and sensitive to the curvature of the systems owing to the overlap of the other ring responses. A warning is provided regarding the evaluation of the delocalization in curved systems in which the x- and y-components of the induced magnetic field become relevant. © 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.subjectaromaticity
dc.subjectelectron delocalization
dc.subjecthelicenes
dc.subjectmagnetic responses
dc.subjectMagnetic fields
dc.subjectAromaticities
dc.subjectDelocalizations
dc.subjectDelocalized electron
dc.subjectElectron delocalization
dc.subjectHelicenes
dc.subjectInduced magnetic fields
dc.subjectMagnetic response
dc.subjectOrbital contribution
dc.subjectElectrons
dc.titleConsequences of Curvature on Induced Magnetic Field: The Case of Helicenes
dc.typeArticle


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