Maurizio D'Auria* Pages 134 - 138 ( 5 )
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.
Cycloparaphenylene, D index, strain energy, HOMED, DFT, OLEDs.
Dipartimento di Scienze, Università della Basilicata, V.le dell'Ateneo Lucano 10, 85100 Potenza