Influence of donor-acceptor groups on the electrical and optical properties of C50 fullerene

In this research, the C-50 fullerene was employed as the source of the pi electrons and the electron donor-acceptor groups were used to enhance its optical properties. Considerable enhancement in its electronic and optical property of C-50 as the result of donor and acceptor group presence was observed. For instance, in UV-Visible absorption spectrum, the number of absorption lines significantly increase which may be the relaxation of the electronic transition selection rules. Considerably, the substituted forms of C-50, have numbers of absorption bands in near infrared region. The BH2-C-50-NCH3Li and NO-C-50-NCH3Li molecules have superior improvement in optical properties. Finally, the donor and acceptor groups influence on non-linear optical properties (NLO) of C-50 was explored and the considerable improvement in NLO properties of C-50 was observed in which the NLO improvements for BH2-C-50-NCH3Li and NO-C-50-CH2Li cases is higher than others.