DFT Calculations on [6.8]Cyclacenes and CpCo-Capped [4.8]Cyclacenes

Two different types of cyclacenes, utilizing eight-membered and six-/four-membered rings as building blocks ([6.8]_n and CpCo-capped [4.8]_ncyclacenes), have been theoretically investigated with respect to their geometries, relative energies, and magnetic properties (aromaticity).