The smallest endohedral borafullerene: structural isomerization, electronic properties, aromaticity and reactivity of U@C<sub>27</sub>B
Xinde Li, Lei Lou, Peng Jin
Abstract
U@C 27 B has three interconvertible isomers with the highest metal oxidation state and strong covalency, obeying the 32-electron principle and Hirsch's aromaticity rule.
Topics & Concepts
AromaticityIsomerizationReactivity (psychology)ChemistryComputational chemistryMetalElectronCrystallographyPhysicsMoleculeOrganic chemistryQuantum mechanicsCatalysisMedicinePathologyAlternative medicineFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchGraphene research and applications