Structures and electronic states of trimer radical cations of coronene: DFT–ESR simulation study
Hiroto Tachikawa, Anders Lund
Abstract
The trimer radical cation of coronene has a stacking structure distorted from the full overlap form.
Topics & Concepts
CoroneneTrimerStackingChemistryElectronic structureComputational chemistryCrystallographyvan der Waals forceChemical physicsMoleculeDimerOrganic chemistryAdvanced Chemical Physics StudiesPhotochemistry and Electron Transfer StudiesSolid-state spectroscopy and crystallography