Magnetic Response of Aromatic Rings Under Rotation: Aromatic Shielding Cone of Benzene Upon Different Orientations of the Magnetic Field

dc.contributor.author	Papadopoulos A.G.
dc.contributor.author	Charistos N.D.
dc.contributor.author	Muñoz-Castro A.
dc.date.accessioned	2020-09-02T22:25:19Z
dc.date.available	2020-09-02T22:25:19Z
dc.date.issued	2017
dc.identifier	10.1002/cphc.201700279
dc.identifier.citation	18, 12, 1499-1502
dc.identifier.issn	14394235
dc.identifier.uri	https://hdl.handle.net/20.500.12728/5739
dc.description	The induced shielding cone is one of the most characteristic aspects of aromatic species. Herein, we explore its behavior under different orientations of the applied magnetic field by evaluating the overall and dissected π- and σ-electron contributions. Our results shed light onto the orientation dependence behavior of the shielding cone, unraveling a characteristic pattern upon rotation of the aromatic ring. This pattern decreases the long range of the magnetic response, such that it resembles the behavior under constant molecular tumbling in solution. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
dc.language.iso	en
dc.publisher	Wiley-VCH Verlag
dc.subject	benzene
dc.subject	density functional theory calculations
dc.subject	magnetic properties
dc.subject	shielding cone
dc.subject	π-electrons
dc.title	Magnetic Response of Aromatic Rings Under Rotation: Aromatic Shielding Cone of Benzene Upon Different Orientations of the Magnetic Field
dc.type	Article

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