Spatial models of magnetic-field induced electronic ring currents have been constructed for the prismane molecule via stagnation graphs and current density maps. These tools provide an insight into the complicated phenomenology resulting from competition of diatropic and paratropic regimes that determine the magnitude of various components of magnetic susceptibility and magnetic shielding of hydrogen and carbon nuclei. Shielding density maps show that the differential Biot-Savart law, along with an atlas of the current density field, explains magnetic shielding at hydrogen and carbon nuclei and virtual shielding at ring and cage centers.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1021/jp711996n | DOI Listing |
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!