Electronic Current Density Induced by Uniform Magnetic Fields in Clarenes

Some planar and non-planar clarenes have been studied using maps of magnetically induced quantum-mechanical current density and tools from differential topology to assess their magnetic response in connection with recent results by Du and Wang. Bond current strengths have been computed to estimate quantitative measures. Isosurfaces of the divergence of induced Lorentz force density have been shown to provide useful additional criteria, especially in the case of non-planar clarenes.Calculations of the magnetic response are reported for few selected clarenes, the most stable isomers among cycloarenes, as identified by maximization of the number of Clar sextets, and tested computationally. Only some of the rings endowed with a Clar sextet show an exaltation of the diatropic ring current, as could have been expected based on previous calculations on different polycyclics. image