Spatial ring current model of the [2.2]paracyclophane molecule.
A representation of the current density induced in the [2.2]paracyclophane molecule by a homogeneous magnetic field parallel to the line joining the centers of the phenylene rings is given in compact form by a stagnation graph 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 understand the 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 response of complex systems.
Pelloni
Stefano
S
Dipartimento di Chimica dell'Università degli Studi di Modena e Reggio Emilia, Via Campi 183, 41100 Modena, Italy.
Lazzeretti
Paolo
P
Zanasi
Riccardo
R