A representation of the current density induced in the [2.2]paracyclophane molecule by a homogeneous magneticfield parallel to the line joining the centers of the phenylene rings is given in compact form by a stagnationgraph that conveys essential information. Analogous graphs were obtained for two perpendicular directions.Plots of streamlines are also reported to complete a ring current model that has been proved useful to understandthe magnetropicity of the system. Stagnation graphs, maps of streamlines and moduli of the current density,and plots of Biot-Savart magnetic shielding density provide a basic tool kit for rationalizing magnetic responseof complex systems.
Spatial ring current model of the [2.2]paracyclophane molecule / S., Pelloni; Lazzeretti, Paolo. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - STAMPA. - 111:16(2007), pp. 3110-3123. [10.1021/jp067540o]
Spatial ring current model of the [2.2]paracyclophane molecule
LAZZERETTI, Paolo
2007
Abstract
A representation of the current density induced in the [2.2]paracyclophane molecule by a homogeneous magneticfield parallel to the line joining the centers of the phenylene rings is given in compact form by a stagnationgraph that conveys essential information. Analogous graphs were obtained for two perpendicular directions.Plots of streamlines are also reported to complete a ring current model that has been proved useful to understandthe magnetropicity of the system. Stagnation graphs, maps of streamlines and moduli of the current density,and plots of Biot-Savart magnetic shielding density provide a basic tool kit for rationalizing magnetic responseof complex systems.
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