Cycloparaphenylenes are important compounds for their photophysical and electronic
properties. The curved structure of these compounds induces an alteration of the aromatic character of
these compounds. D values have been used to describe the aromatic character of compounds from
- to cycloparaphenylene. D values are compared with HOMED and with the strain energy are
obtained by using an homodesmotic reaction.
Keywords: Cycloparaphenylene, D index, strain energy, HOMED, DFT, OLEDs.
Rights & PermissionsPrintExport