On the antiaromatic–aromatic–antiaromatic transition of the stacked cyclobutadiene dimer
Mesías Orozco‐Ic, Dage Sundholm
Abstract
We have studied the changes in the aromatic nature of two cyclobutadiene (C 4 H 4 ) molecules on decreasing the intermolecular distance and approaching the cubane structure in a face-to-face fashion.
Topics & Concepts
AntiaromaticityCyclobutadieneAromaticityCubaneChemistryComputational chemistryIdiosyncrasyIntermolecular forceChemical physicsMoleculeOrganic chemistryEconomicsFinanceSynthesis and Properties of Aromatic CompoundsAdvanced Chemical Physics StudiesFullerene Chemistry and Applications