Publikationsrepositorium - Helmholtz-Zentrum Dresden-Rossendorf
1 PublikationMagnetically induced ring currents in actinide extraction ligand systems
Patzschke, M.
Abstract
Aromaticity is an old concept in chemistry. With newly developed metods, like GIMIC, it is possible to quantify this concept. With this method the ring current induced by an external magnetic field is evaluated (in nA/T), paramagnetic and diamagnetic contributions can be seen and the stabilisation due to aromaticity predicted. We present latest results for some typical actinide extraction ligands like BTP and look on the influence of complexation on these currents.
Keywords: Computational chemistry; actinides; aromaticity
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Sonstiger Vortrag
Eingeladener Vortrag TU München, 05.02.2015, München, Deutschland
Permalink: https://www.hzdr.de/publications/Publ-23970