Structure and Properties of the C$_{58}$ and C$

Issues » Volume 36, Issue 7

Structure and Properties of the C$_{58}$ and C$_{62}$ Fullerenes

O. M. Pastushenko, A. I. Momot

Taras Shevchenko National University of Kyiv, 64 Volodymyrska Str., 01601 Kyiv, Ukraine

Received: 22.11.2013. Download: PDF

Structures and energies of stable isomers of the C$_{58}$ and C$_{62}$ fullerenes are determined, and their vibrational spectra are obtained, using quantum-chemistry methods. As revealed, the infrared absorption and Raman spectra of C$_{58}$ and C$_{62}$ essentially differ from the spectra of C60, namely, the splitting of degenerate lines is observed. The appearance of new lines is conditioned by vibrations, which are not manifesting themselves in spectra of C$_{60}$. A new mechanism of fullerite polymerization under irradiation is proposed as the assembly of fullerenes by means of the C$_{2}$ molecules.

Key words: fullerene isomers, fullerite polymerization, Raman scattering of fullerenes, IR absorption of fullerenes.

URL: http://mfint.imp.kiev.ua/en/abstract/v36/i07/0947.html

DOI: https://doi.org/10.15407/mfint.36.07.0947

PACS: 61.48.-c, 61.82.Pv, 71.15.Mb, 71.20.Tx, 78.30.Na, 81.05.ub, 82.35.-x

Citation: O. M. Pastushenko and A. I. Momot, Structure and Properties of the C$_{58}$ and C$_{62}$ Fullerenes, Metallofiz. Noveishie Tekhnol., 36, No. 7: 947—957 (2014) (in Ukrainian)

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