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This article is cited in 5 scientific papers (total in 5 papers)
Fullerenes
Energy and optical absorption spectra of endohedral metallofullerenes with Gd or Ho as strongly correlated $\pi$-electron systems
V. P. Bubnova, I. E. Kareeva, B. V. Lobanovb, A. I. Murzashevb, V. M. Nekrasovac a Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow region
b Mari State University, Ioshkar-Ola
c Lomonosov Moscow State University
Abstract:
Isomerically pure endohedral metallofullerenes Gd@C$_{82}$(C$_{2v}$), Ho@C$_{82}$(C$_{2v})$, and their monoanions have been synthesized and separated. The optical absorption spectra of solutions of obtained compounds in $o$-dichlorobenzene have been studied. Within the Hubbard model, the energy spectrum of isomer of C$_{2v}$ symmetry (no. 9) of fullerene С$_{82}$ has been calculated. Based on the obtained spectrum, optical absorption spectra of endohedral metallofullerenes Gd@C$_{82}$ and Ho@C$_{82}$ and their monoanions have been simulated. The calculated optical absorption spectra have been compared with experimental ones; it has been found that qualitative agreement between them is observed.
Received: 04.08.2015 Revised: 27.01.2016
Citation:
V. P. Bubnov, I. E. Kareev, B. V. Lobanov, A. I. Murzashev, V. M. Nekrasov, “Energy and optical absorption spectra of endohedral metallofullerenes with Gd or Ho as strongly correlated $\pi$-electron systems”, Fizika Tverdogo Tela, 58:8 (2016), 1639–1645; Phys. Solid State, 58:8 (2016), 1698–1704
Linking options:
https://www.mathnet.ru/eng/ftt9902 https://www.mathnet.ru/eng/ftt/v58/i8/p1639
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