A. I. Murzashev, A. P. Jumanazarov, I. E. Kareev, V. P. Bubnov, A. S. Ryabchikova, “Electronic structure and optical properties of trifluoromethyl derivatives of С$_{60}$ and С$_{70}$ fullerenes”, Fizika Tverdogo Tela, 2023, Volume 65, Issue 2,Pages 344

This article is cited in 1 paper

Fullerenes

Electronic structure and optical properties of trifluoromethyl derivatives of С$_{60}$ and С$_{70}$ fullerenes

A. I. Murzashev^a, A. P. Jumanazarov^a, I. E. Kareev^b, V. P. Bubnov^b, A. S. Ryabchikova^a

^a Mari State University, Yoshkar-Ola, Mari El Republic, Russia
^b Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, Russian Academy of Sciences, Chernogolovka, Russia

Abstract: The energy spectra of ten isomers of trifluoromethyl derivatives of fullerenes С$_{60}$(CF$_3$)$_{10}$ and С$_{70}$(CF$_3$)$_{10}$ are calculated within the framework of the Hubbard model. Based on the obtained energy spectra, the optical absorption spectra of these compounds are modeled. The calculated optical absorption spectra are compared with the experimental spectra.

Keywords: trifluoromethyl derivatives, fullerene, Hubbard model, energy spectrum, optical absorption spectrum.

Received: 19.10.2022
Revised: 11.11.2022
Accepted: 14.11.2022

DOI: 10.21883/FTT.2023.02.54312.502