Abstract
Isomerically pure endohedral metallofullerenes Gd@C82(C2v), Ho@C82(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 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.
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L. N. Sidorov, M. A. Yurovskaya, A. Ya. Borshchevskii, I. V. Trushkov, and I. N. Ioffe, Fullerenes (Ekzamen, Moscow, 2005) [in Russian].
T. G. Schmalz, W. A. Seitz, D. G. Klein, and G. E. Hite, J. Am. Chem. Soc. 110, 1113 (1988).
M. Zalibera, A. A. Popov, M. Kalbac, P. Rapta, and L. Dunsch, Chem.—Eur. J. 14 (32), 9960 (2008).
P. W. Fowler and D. E. Manolopoulous, An Atlas of Fullerenes (Clarendon, Oxford, 1995). 256 r.
Y. Chai, T. Cuo, C. Jin, R. E. Haufler, L. P. F. Chibante, J. Fure, L. Wang, J. M. Alford, and R. E. Smalley, J. Phys. Chem. 95, 7564 (1991).
A. V. Eletskii, Phys.—Usp. 43 (2), 111 (2000).
H. Shinohara, Rep. Prog. Phys. 63, 843 (2000).
A. A. Popov, S. Yang, and L. Dunsch, Chem. Rev. 113, 5989 (2013).
V. M. Nekrasov, V. P. Bubnov, V. M. Martynenko, I. E. Kareev, E. Laukhina, J. Veciana, and C. Rovira, Izv. Akad. Nauk, Ser. Khim., No. 10, 2473 (2015).
A. A. Levin, Solid State Quantum Chemistry (Khimiya, Moscow, 1974; McGraw-Hill, New York, 1977), p. 237.
D. A. Bochvar and E. G. Gal’pern, Dokl. Akad. Nauk SSSR 209, 610 (1973).
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, et al., Computer Code Gaussian 94, Revision E.1 (Gaussian, Pittsburgh, Pennsylvania, United States, 1995).
Y. Lin, W. Cai, and X. Shao, J. Mol. Struct.: THEOCHEM 760, 153 (2006).
T. O. Wehling, E. Sasioglu, C. Friedrich, A. I. Lichtenstein, M. I. Katsnelson, and S. Blugel, Phys. Rev. Lett. 106, 236805 (2011).
Yu. A. Izyumov and E. Z. Kurmaev, Phys.—Usp. 51 (1), 23 (2008).
J. Hubbard, Proc. R. Soc. London, Ser. A 276, 238 (1963).
G. I. Mironov and A. I. Murzashev, Phys. Solid State 53 (11), 2393 (2011).
A. I. Murzashev, Russ. Phys. J. 55 (5), 524 (2012).
A. I. Murzashev and T. E. Nazarova, Phys. Met. Metallogr. 115 (7), 635 (2014).
A. I. Murzashev and T. E. Nazarova, J. Exp. Theor. Phys. 119 (5), 902 (2014).
B. V. Lobanov and A. I. Murzashev, Phys. Solid State 55 (4), 868 (2013).
I. E. Kareev, V. P. Bubnov, A. I. Murzashev, and B. V. Lobanov, Phys. Solid State 57 (11), 2323 (2015).
I. E. Kareev, V. P. Bubnov, and D. N. Fedutin, Tech. Phys. 54 (11), 1695 (2009).
V. P. Bubnov, E. E. Laukhina, I. E. Kareev, V. K. Koltover, T. G. Prokhorova, E. B. Yagubskii, and Y. P. Kozmin, Chem. Mater. 14, 1004 (2002).
I. E. Kareev, V. M. Nekrasov, and V. P. Bubnov, Tech. Phys. 60 (1), 102 (2015).
I. E. Kareev, V. P. Bubnov, and E. B. Yagubskii, Izv. Akad. Nauk, Ser. Khim. 11, 2067 (2007).
I. E. Kareev, E. Laukhina, V. P. Bubnov, V. M. Martynenko, V. Lloveras, J. Vidal-Gancedo, M. Mas-Torrent, J. Veciana, and C. Rovira, ChemPhysChem 14, 1670 (2013).
Y. Ito, T. Okazaki, S. Okubo, M. Akachi, Y. Ohno, T. Mizutani, T. Nakamura, R. Kitaura, T. Sugai, and H. Shinohara, ACS Nano 1 (5), 456 (2007).
A. V. Nikolaev and B. N. Plakhutin, Usp. Khim. 79, 803 (2010).
Yu. A. Izyumov, Phys.—Usp. 40 (5), 445 (1997).
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Original Russian Text © V.P. Bubnov, I.E. Kareev, B.V. Lobanov, A.I. Murzashev, V.M. Nekrasov, 2016, published in Fizika Tverdogo Tela, 2016, Vol. 58, No. 8, pp. 1639–1645.
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Bubnov, V.P., Kareev, I.E., Lobanov, B.V. et al. Energy and optical absorption spectra of endohedral metallofullerenes with Gd or Ho as strongly correlated π-electron systems. Phys. Solid State 58, 1698–1704 (2016). https://doi.org/10.1134/S1063783416080072
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DOI: https://doi.org/10.1134/S1063783416080072