C60 Fullerene as a Pseudoatom of the Icosahedral Symmetry Review
| Journal |
Russian Chemical Reviews
ISSN: 0036-021X , E-ISSN: 1468-4837 |
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| Output data | Year: 2010, Volume: 79, Number: 9, Pages: 729-755 Pages count : 7 DOI: 10.1070/RC2010v079n09ABEH004139 | ||||
| Tags | ORIENTATIONAL PHASE-TRANSITION; GROUP-THEORETICAL ANALYSIS; ELECTRONIC-STRUCTURE DATA; MULTIPLET STRUCTURES; ABSORPTION-SPECTRA; CRYSTAL-STRUCTURES; COMPLEX SPECTRA; (MF6)(2)C-60 M; COULOMB; STATES | ||||
| Authors |
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| Affiliations |
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Funding (3)
| 1 | Russian Foundation for Basic Research | 09-03-00113 |
| 2 | Президиум РАН | 2009/5.1.9 |
| 3 | Council for Grants of the President of the Russian Federation | НШ-7853.2010.3 |
Abstract:
Unique features of the electronic structure and spectra of the C60 (Ih) fullerene and its ions related to the icosahedral symmetry are discussed. The so-called 'accidental' degeneracy of terms in the open electron shells gN and hN (corresponding to four- and fivefold degeneracy of molecular orbitals, respectively) and the abnormal ('non-Bethe') splitting of terms in the hN configuration are considered. The need to describe these terms arises in studies of ionized and excited states of the C60 molecule and its derivatives. A novel approach to the description of C60m± ions based on representation of the C60 (Ih) fullerene as a (pseudo)atom of icosahedral symmetry is considered in detail. The approach involves an expansion of the molecular orbitals of C60 in terms of the atomic orbitals centred at the origin (at the centre of the C60 molecule) and a multipole expansion of the electron repulsion. The energy spectra of the fullerene and C60m± ions, the magnetic moments and optical dipole transitions are considered. The results obtained are compared with those of ab initio calculations and with the available experimental data.
Cite:
Nikolaev A.V.
, Plakhutin B.N.
C60 Fullerene as a Pseudoatom of the Icosahedral Symmetry
Russian Chemical Reviews. 2010. V.79. N9. P.729-755. DOI: 10.1070/RC2010v079n09ABEH004139 WOS Scopus РИНЦ ANCAN OpenAlex
C60 Fullerene as a Pseudoatom of the Icosahedral Symmetry
Russian Chemical Reviews. 2010. V.79. N9. P.729-755. DOI: 10.1070/RC2010v079n09ABEH004139 WOS Scopus РИНЦ ANCAN OpenAlex
Original:
Николаев А.В.
, Плахутин Б.Н.
Фуллерен С60 как псевдоатом икосаэдрической симметрии
Успехи химии. 2010. Т.79. №9. С.803-831. РИНЦ
Фуллерен С60 как псевдоатом икосаэдрической симметрии
Успехи химии. 2010. Т.79. №9. С.803-831. РИНЦ
Dates:
| Submitted: | Jan 28, 2010 |
| Published print: | Nov 16, 2010 |
| Published online: | Nov 17, 2010 |
Identifiers:
| Web of science: | WOS:000284312500001 |
| Scopus: | 2-s2.0-78649538051 |
| Elibrary: | 16718751 |
| Chemical Abstracts: | 2010:1628690 |
| Chemical Abstracts (print): | 156:676560 |
| OpenAlex: | W2044946535 |