Energy and optical absorption spectra of endohedral metallofullerenes with Gd or Ho as strongly correlated π-electron systems
- Авторы: Bubnov V.P.1, Kareev I.E.1, Lobanov B.V.2, Murzashev A.I.2, Nekrasov V.M.1,3
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Учреждения:
- Institute of Problems of Chemical Physics
- Mari State University
- Moscow State University
- Выпуск: Том 58, № 8 (2016)
- Страницы: 1698-1704
- Раздел: Fullerenes
- URL: https://ogarev-online.ru/1063-7834/article/view/198522
- DOI: https://doi.org/10.1134/S1063783416080072
- ID: 198522
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Аннотация
Isomerically pure endohedral metallofullerenes Gd@C82(C2v), Ho@C82(C2v), 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 C2v symmetry (no. 9) of fullerene С82 has been calculated. Based on the obtained spectrum, optical absorption spectra of endohedral metallofullerenes Gd@C82 and Ho@C82 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.
Об авторах
V. Bubnov
Institute of Problems of Chemical Physics
Автор, ответственный за переписку.
Email: nanotubes59@mail.ru
Россия, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
I. Kareev
Institute of Problems of Chemical Physics
Email: nanotubes59@mail.ru
Россия, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
B. Lobanov
Mari State University
Email: nanotubes59@mail.ru
Россия, pl. Lenina 1, Yoshkar Ola, 424001
A. Murzashev
Mari State University
Email: nanotubes59@mail.ru
Россия, pl. Lenina 1, Yoshkar Ola, 424001
V. Nekrasov
Institute of Problems of Chemical Physics; Moscow State University
Email: nanotubes59@mail.ru
Россия, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432; Moscow, 119899
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