Structure and Properties of the C58 and C62 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 C58 and C62 fullerenes are determined, and their vibrational spectra are obtained, using quantum-chemistry methods. As revealed, the infrared absorption and Raman spectra of C58 and C62 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 C60. A new mechanism of fullerite polymerization under irradiation is proposed as the assembly of fullerenes by means of the C2 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 C58 and C62 Fullerenes, Metallofiz. Noveishie Tekhnol., 36, No. 7: 947—957 (2014) (in Ukrainian)