Continuous Symmetry of C60 Fullerene and Its Derivatives

被引:24
作者
Sheka, E. F. [1 ]
Razbirin, B. S. [2 ]
Nelson, D. K. [2 ]
机构
[1] Peoples Friendship Univ Russian Federat, Moscow 117198, Russia
[2] RAS, AF Ioffe Phys Tech Inst, St Petersburg 194021, Russia
关键词
CHEMICAL SUSCEPTIBILITY; ELECTRONIC-STRUCTURE; OPTICAL-SPECTRA; MOLECULES; C60; STABILITY; CHEMISTRY; SYSTEMS; BUCKMINSTERFULLERENE; CHARACTER;
D O I
10.1021/jp109128v
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Conventionally, the I-h symmetry of fullerene C-60 is accepted, which is supported by numerous calculations. However, this conclusion results from the consideration of the molecule electron system, of its odd electrons in particular, in a closed-shell approximation without taking the electron spin into account. Passing to the open-shell approximation has led to both the energy and the symmetry lowering up to C-i. Seemingly contradicting to a high-symmetry pattern of experimental recording, particularly concerning the molecule electronic spectra, the finding is considered in this Article from the continuous symmetry viewpoint. Exploiting continuous symmetry measure and continuous symmetry level approaches, it was shown that formal C-i symmetry of the molecule is by 99.99%I-h. A similar continuous symmetry analysis of the fullerene monoderivatives gives a reasonable explanation of a large variety of their optical spectra patterns within the framework Of the same C-1 formal symmetry exhibiting a strong stability of the C60 skeleton. TOC color pictures present chemical portrait of C-60 in terms of atomic chemical susceptibility (Sheka, Fullerenes: Nanochemistry, Nanomagnetism, Nanomedicine, Nanophotonics; CRC Press: Taylor and Francis Group, Boca Raton, 2011).
引用
收藏
页码:3480 / 3490
页数:11
相关论文
共 50 条
  • [1] Bis(Allyloxycarbonyl)methano Derivatives of Fullerene C60
    Torosyan, S. A.
    Gimalova, F. A.
    Mikheev, V. V.
    Fatykhov, A. A.
    Biglova, Yu. N.
    Miftakhov, M. S.
    RUSSIAN JOURNAL OF ORGANIC CHEMISTRY, 2011, 47 (12) : 1807 - 1810
  • [2] Quadratic stark effect in the fullerene C60 at low symmetry orientation in the field
    Tuchin, A. V.
    Bityutskaya, L. A.
    Bormontov, E. N.
    PHYSICS OF THE SOLID STATE, 2014, 56 (08) : 1685 - 1688
  • [3] Voltammetric study of fullerene C60 and fullerene C60 nanotubes with sandwich method
    Zhang, Xuzhi
    Jiao, Kui
    Piao, Guangzhe
    Liu, Shufeng
    Li, Shaoxiang
    SYNTHETIC METALS, 2009, 159 (5-6) : 419 - 423
  • [4] Photoabsorption of the fullerene C60 and its positive ions
    Belyaev, A. K.
    Tiukanov, A. S.
    Toropkin, A. I.
    Ivanov, V. K.
    Polozkov, R. G.
    Solov'yov, A. V.
    PHYSICA SCRIPTA, 2009, 80 (04)
  • [5] Synthesis and properties of fullerene (C60) substituted cyclophosphazene derivatives
    Okutan, Elif
    Cosut, Bunyemin
    Yesilot, Serkan
    INORGANIC CHEMISTRY COMMUNICATIONS, 2014, 49 : 1 - 4
  • [6] Glassy Porphyrin/C60 Composites: Morphological Engineering of C60 Fullerene with Liquefied Porphyrins
    Morisue, Mitsuhiko
    Saito, Genki
    Sasada, Daiki
    Umeyama, Tomokazu
    Imahori, Hiroshi
    Mitamura, Koji
    Masunaga, Hiroyasu
    Hoshino, Taiki
    Sakurai, Shinichi
    Sasaki, Sono
    LANGMUIR, 2020, 36 (45) : 13583 - 13590
  • [7] Vibronic Resonance in Spectra of Frozen Solutions of the C60 Fullerene Derivatives
    Razbirin, B. S.
    Sheka, E. F.
    Starukhin, A. N.
    Nel'son, D. K.
    Degunov, M. Yu.
    Shukov, I. V.
    PHYSICS OF THE SOLID STATE, 2011, 53 (06) : 1307 - 1313
  • [8] Encapsulation of the Interstellar Abundant H3+ in a C60 Fullerene
    Ramachandran, C. N.
    Ruckenstein, Eli
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 111 (14) : 3695 - 3700
  • [9] Interaction of Impurity Atom with C60 Fullerene Cage: A Density Functional Theory (DFT) Analysis
    Nigam, Sandeep
    Majumder, Chiranjib
    JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2009, 6 (02) : 349 - 353
  • [10] Energy Spectrum of C60 Fullerene
    Mironov, G. I.
    Murzashev, A. I.
    PHYSICS OF THE SOLID STATE, 2011, 53 (11) : 2393 - 2397