Consequences of Curvature on Induced Magnetic Field: The Case of Helicenes
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Helicenes 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 -, -, and 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
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